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Chemical ID: 5600135

COc1ccc(cc1)CNC(=O)c2ccc(cc2)Nc3c4ccccc4ncn3

Chemical ID:

5600135

Name [?]:

N-[(4-methoxyphenyl)methyl]-4-quinazolin-4-ylamino-benzamide

SMILES [?]:

COc1ccc(cc1)CNC(=O)c2ccc(cc2)Nc3c4ccccc4ncn3

InChi [?]:

InChI=1/C23H20N4O2/c1-29-19-12-6-16(7-13-19)14-24-23(28)17-8-10-18(11-9-17)27-22-20-4-2-3-5-21(20)25-15-26-22/h2-13,15H,14H2,1H3,(H,24,28)(H,25,26,27)

InChi Info:

AuxInfo=1/1/N:1,23,24,22,25,5,7,14,18,15,17,4,8,9,28,6,13,16,3,21,26,20,11,10,27,29,19,12,2/E:(6,7)(8,9)(10,11)(12,13)/rA:29nCOCCCCCCCNCOCCCCCCNCCCCCCCNCN/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;s9;s10;d11;s11;s13;d14;s15;d16;d13s17;s16;s19;s20;s21;d22;s23;d24;d21s25;s26;d27;d20s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₃H₂₀N₄O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.3266
Area:	622.579
Solvation:	-4.23783
Coulombic:	-52.9974

Bond Count [?]

All:	32
Single:	20
Double:	12
Rotors:	7
Chiral:	0
Rigid Segments:	6

Chemical Properties

Molecular Weight:	384.431
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	4.05
LogP (Chemaxon):	3.69

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value