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Chemical ID: 5875048

Cc1ccc(cc1)n2c(=O)c3ccccc3nc2C(C)N(CCC(C)C)C(=O)c4ccccc4F

Chemical ID:

5875048

Name [?]:

2-fluoro-N-isopentyl-N-[1-[4-oxo-3-(p-tolyl)quinazolin-2-yl]ethyl]benzamide

SMILES [?]:

Cc1ccc(cc1)n2c(=O)c3ccccc3nc2C(C)N(CCC(C)C)C(=O)c4ccccc4F

InChi [?]:

InChI=1/C29H30FN3O2/c1-19(2)17-18-32(28(34)23-9-5-7-11-25(23)30)21(4)27-31-26-12-8-6-10-24(26)29(35)33(27)22-15-13-20(3)14-16-22/h5-16,19,21H,17-18H2,1-4H3

InChi Info:

AuxInfo=1/0/N:25,26,1,20,31,13,32,14,30,12,33,15,3,7,4,6,23,22,24,2,19,5,29,11,34,16,18,27,9,35,17,21,8,28,10/E:(1,2)(13,14)(15,16)/rA:35cCCCCCCCNCOCCCCCCNCCCNCCCCCCOCCCCCCF/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;d9;s9;s11;d12;s13;d14;d11s15;s16;s8d17;s18;s19;s19;s21;s22;s23;s24;s24;s21;d27;s27;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₉H₃₀FN₃O₂
All Atoms:	35
Heavy Atoms:	35
Chiral Atoms:	1

ZAP Information [?]

Total:	12.34
Area:	655.389
Solvation:	-4.04475
Coulombic:	-46.6836

Bond Count [?]

All:	38
Single:	26
Double:	12
Rotors:	8
Chiral:	0
Rigid Segments:	7

Chemical Properties

Molecular Weight:	471.566
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	6.65
LogP (Chemaxon):	6.16

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