4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine

C27H29Cl2N3O — CID 142985463

IUPAC4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine
SMILESCC.Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cc3ccc(Cl)cc3)ccc21.N/C=C\N
InChIInChI=1S/C23H17Cl2NO.C2H6N2.C2H6/c1-26-22-10-7-16(11-15-5-8-18(24)9-6-15)12-21(22)20(14-23(26)27)17-3-2-4-19(25)13-17;3-1-2-4;1-2/h2-10,12-14H,11H2,1H3;1-2H,3-4H2;1-2H3/b;2-1-;
InChIKeyFITMYCVLIDSTCL-FJOGWHKWSA-N
MW482.46 g/mol
LogP6.50
Rot. Bonds3

About 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine

4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine (PubChem CID 142985463) has the molecular formula C27H29Cl2N3O and a molecular weight of 482.46 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine
PubChem CID142985463
Molecular FormulaC27H29Cl2N3O
Molecular Weight482.46 g/mol
Exact Mass481.17
IUPAC Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine
SMILESCC.Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cc3ccc(Cl)cc3)ccc21.N/C=C\N
InChIInChI=1S/C23H17Cl2NO.C2H6N2.C2H6/c1-26-22-10-7-16(11-15-5-8-18(24)9-6-15)12-21(22)20(14-23(26)27)17-3-2-4-19(25)13-17;3-1-2-4;1-2/h2-10,12-14H,11H2,1H3;1-2H,3-4H2;1-2H3/b;2-1-;
InChIKeyFITMYCVLIDSTCL-FJOGWHKWSA-N
XLogP6.50
TPSA74.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.46
LogP ≤ 56.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
4-(3-chlorophenyl)-6-[[2-(4-chlorophenyl)-3-methyl-5-[[(1R)-1-phenylethyl]amino]imidazol-4-yl]methyl]-1-methylquinolin-2-one
CID 69310932
6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene
CID 143128756
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 59157844
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 164672387
6-[(Z)-3-amino-2-[ethenyl(methyl)amino]-1-hydroxy-1-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]prop-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 89383231
3-[(Z)-3-amino-1-[4-(3-chlorophenyl)-1-methyl-2-oxoquinolin-6-yl]-2-[ethenyl(methyl)amino]-1-hydroxyprop-2-enyl]benzaldehyde
CID 89383076
6-[(Z)-3-amino-2-[ethenyl(methyl)amino]-1-hydroxy-1-[4-[(2-phenylethylamino)methyl]phenyl]prop-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 89383191
1-benzyl-4-(3-chlorophenyl)quinolin-2-one
CID 166442707
6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one
CID 101359142

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine?
The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine (CID 142985463) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine is CC.Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cc3ccc(Cl)cc3)ccc21.N/C=C\N.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine?
The InChIKey is FITMYCVLIDSTCL-FJOGWHKWSA-N. The full InChI is InChI=1S/C23H17Cl2NO.C2H6N2.C2H6/c1-26-22-10-7-16(11-15-5-8-18(24)9-6-15)12-21(22)20(14-23(26)27)17-3-2-4-19(25)13-17;3-1-2-4;1-2/h2-10,12-14H,11H2,1H3;1-2H,3-4H2;1-2H3/b;2-1-;.
What are the key properties of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine?
4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine has a molecular weight of 482.46 g/mol, XLogP of 6.50, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine is sourced from PubChem (CID 142985463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).