4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one

C29H26Cl2N4O — CID 46236367

IUPAC4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one
SMILESCCn1cncc1C(NC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C29H26Cl2N4O/c1-4-35-18-33-17-27(35)29(32-2,20-8-11-22(30)12-9-20)21-10-13-26-25(15-21)24(16-28(36)34(26)3)19-6-5-7-23(31)14-19/h5-18,32H,4H2,1-3H3
InChIKeyVRGIJWMQZSGVFK-UHFFFAOYSA-N
MW517.46 g/mol
LogP6.24
Rot. Bonds6

About 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one

4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one (PubChem CID 46236367) has the molecular formula C29H26Cl2N4O and a molecular weight of 517.46 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one
PubChem CID46236367
Molecular FormulaC29H26Cl2N4O
Molecular Weight517.46 g/mol
Exact Mass516.15
IUPAC Name4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one
SMILESCCn1cncc1C(NC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C29H26Cl2N4O/c1-4-35-18-33-17-27(35)29(32-2,20-8-11-22(30)12-9-20)21-10-13-26-25(15-21)24(16-28(36)34(26)3)19-6-5-7-23(31)14-19/h5-18,32H,4H2,1-3H3
InChIKeyVRGIJWMQZSGVFK-UHFFFAOYSA-N
XLogP6.24
TPSA51.85 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500517.46
LogP ≤ 56.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one with MolForge

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Related Compounds

Tipifarnib
CID 159324
R115777
CID 148193
6-[Amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-9-(3-chlorophenyl)-1-azatricyclo[6.3.1.04,12]dodeca-4(12),5,7,9-tetraen-11-one
CID 9870627
Tipifarnib (S enantiomer)
CID 9935249
4-[(5-{amino[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methyl}-1H-imidazol-1-yl)methyl]benzonitrile
CID 23646763
N-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]({1-[(4-cyanophenyl)methyl]-1H-imidazol-5-yl})methyl}formamide
CID 23646764
4-[(1-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methyl}-1H-imidazol-5-yl)methyl]benzonitrile
CID 23646765
1-[(1-{[4-(3-chlorophenyl)-1-methyl-2-oxo-1,2-dihydroquinolin-6-yl]methyl}-1H-imidazol-5-yl)methyl]-1H-pyrrole-3-carbonitrile
CID 23646774
1-(3-Chlorophenyl)-4-[[3-[[4-(4-chlorophenyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-2-one
CID 9848457
1-(3-Chlorophenyl)-4-[[3-[[4-(3-chlorophenyl)phenyl]methyl]imidazol-4-yl]methyl]piperazin-2-one
CID 9848458
4-(3-Chloro-phenyl)-6-[1-(4-chloro-phenyl)-1-(3-methyl-3H-imidazol-4-yl)-ethyl]-1-methyl-1H-quinolin-2-one
CID 9891655
4-(3-Chloro-phenyl)-6-[(4-chloro-phenyl)-(3-methyl-3H-imidazol-4-yl)-methyl]-1-methyl-1H-quinolin-2-one
CID 9934578

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one (CID 46236367) is 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one is CCn1cncc1C(NC)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one?
The InChIKey is VRGIJWMQZSGVFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26Cl2N4O/c1-4-35-18-33-17-27(35)29(32-2,20-8-11-22(30)12-9-20)21-10-13-26-25(15-21)24(16-28(36)34(26)3)19-6-5-7-23(31)14-19/h5-18,32H,4H2,1-3H3.
What are the key properties of 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one?
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one has a molecular weight of 517.46 g/mol, XLogP of 6.24, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(3-ethylimidazol-4-yl)-(methylamino)methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 46236367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).