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Chemical ID: 5875371

Cc1ccccc1n2c(=O)c3ccccc3nc2C(C)N(CCC(C)C)C(=O)c4ccc5ccccc5c4

Chemical ID:

5875371

Name [?]:

N-isopentyl-N-[1-[3-(o-tolyl)-4-oxo-quinazolin-2-yl]ethyl]naphthalene-2-carboxamide

SMILES [?]:

Cc1ccccc1n2c(=O)c3ccccc3nc2C(C)N(CCC(C)C)C(=O)c4ccc5ccccc5c4

InChi [?]:

InChI=1/C33H33N3O2/c1-22(2)19-20-35(32(37)27-18-17-25-12-6-7-13-26(25)21-27)24(4)31-34-29-15-9-8-14-28(29)33(38)36(31)30-16-10-5-11-23(30)3/h5-18,21-22,24H,19-20H2,1-4H3

InChi Info:

AuxInfo=1/0/N:25,26,1,20,4,34,35,13,14,5,3,33,36,12,15,6,31,30,23,22,38,24,2,19,32,37,29,11,16,7,18,27,9,17,21,8,28,10/E:(1,2)/rA:38cCCCCCCCNCOCCCCCCNCCCNCCCCCCOCCCCCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s8d17;s18;s19;s19;s21;s22;s23;s24;s24;s21;d27;s27;s29;d30;s31;s32;d33;s34;d35;d32s36;d29s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₃₃H₃₃N₃O₂
All Atoms:	38
Heavy Atoms:	38
Chiral Atoms:	1

ZAP Information [?]

Total:	13.5086
Area:	656.182
Solvation:	-2.89595
Coulombic:	-45.0199

Bond Count [?]

All:	42
Single:	28
Double:	14
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	503.634
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	7.55
LogP (Chemaxon):	7.03

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value