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Chemical ID: 4085543

CC(=Nc1cccc2c1c(ccc2)N)c3c(c4ccccc4n(c3=O)c5ccccc5)O

Chemical ID:

4085543

Name [?]:

3-[1-[(8-amino-1-naphthyl)imino]ethyl]-4-hydroxy-1-phenyl-quinolin-2-one

SMILES [?]:

CC(=Nc1cccc2c1c(ccc2)N)c3c(c4ccccc4n(c3=O)c5ccccc5)O

InChi [?]:

InChI=1/C27H21N3O2/c1-17(29-22-15-8-10-18-9-7-14-21(28)25(18)22)24-26(31)20-13-5-6-16-23(20)30(27(24)32)19-11-3-2-4-12-19/h2-16,31H,28H2,1H3

InChi Info:

AuxInfo=1/0/N:1,29,28,30,19,20,12,6,13,7,27,31,18,11,5,21,2,8,26,17,10,4,22,15,9,16,24,14,3,23,32,25/E:(3,4)(11,12)/rA:32nCCNCCCCCCCCCCNCCCCCCCCNCOCCCCCCO/rB:s1;w2;s3;s4;d5;s6;d7;d4s8;s9;d10;s11;s8d12;s10;s2;d15;s16;s17;d18;s19;d20;d17s21;s22;s15s23;d24;s23;s26;d27;s28;d29;d26s30;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₇H₂₁N₃O₂
All Atoms:	32
Heavy Atoms:	32
Chiral Atoms:	0

ZAP Information [?]

Total:	11.997
Area:	611.125
Solvation:	-3.28113
Coulombic:	-57.3762

Bond Count [?]

All:	36
Single:	22
Double:	14
Rotors:	3
Chiral:	1
Rigid Segments:	4

Chemical Properties

Molecular Weight:	419.475
H-Bond Donors:	3
H-Bond Acceptors:	4
XLogP:	4.73
LogP (Chemaxon):	5.36

Name Annotations

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

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