6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one

C27H24Cl2N4O — CID 164672387

IUPAC6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
SMILESCN1C=NCC1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C27H24Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-14,16,25H,15,30H2,1-2H3/t25?,27-/m0/s1
InChIKeyXCDDNSYHWYXVPZ-GPNIZQGCSA-N
MW491.42 g/mol
LogP5.06
Rot. Bonds4

About 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one

6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one (PubChem CID 164672387) has the molecular formula C27H24Cl2N4O and a molecular weight of 491.42 g/mol. Its IUPAC name is 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
PubChem CID164672387
Molecular FormulaC27H24Cl2N4O
Molecular Weight491.42 g/mol
Exact Mass490.13
IUPAC Name6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
SMILESCN1C=NCC1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C27H24Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-14,16,25H,15,30H2,1-2H3/t25?,27-/m0/s1
InChIKeyXCDDNSYHWYXVPZ-GPNIZQGCSA-N
XLogP5.06
TPSA63.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.42
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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
6-[amino-(3-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;dimethylphosphorylmethane
CID 91416842
6-(4-chlorobenzoyl)-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 11452553
6-[(E)-1-amino-1-(4-chlorophenyl)-2-methylpent-2-enyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;ethane;prop-1-ene
CID 143128756
4-(3-chlorophenyl)-6-[(4-chlorophenyl)methyl]-1-methylquinolin-2-one;ethane;(Z)-ethene-1,2-diamine
CID 142985463
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-[3-[(E)-methoxyiminomethyl]phenyl]-1-methylquinolin-2-one
CID 20748851
4-(3-chlorophenyl)-6-[(3-chlorothiophen-2-yl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 22465424
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
4-(3-chlorophenyl)-6-[methoxy-(3-methylimidazol-4-yl)-[4-(trifluoromethyl)phenyl]methyl]-1-methylquinolin-2-one
CID 46236479
6-[(S)-amino-[4-chloro-2-(3-diethoxyphosphorylpropyl)phenyl]-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
CID 89228100
4-(3-chlorophenyl)-6-[(S)-(4-chlorophenyl)-hydroxy-(3-methyltriazol-4-yl)methyl]-1-methyl-1,7-naphthyridin-2-one
CID 46206579

Frequently Asked Questions

What is the IUPAC name of 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The IUPAC name of 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one (CID 164672387) is 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one is CN1C=NCC1[C@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The InChIKey is XCDDNSYHWYXVPZ-GPNIZQGCSA-N. The full InChI is InChI=1S/C27H24Cl2N4O/c1-32-16-31-15-25(32)27(30,18-6-9-20(28)10-7-18)19-8-11-24-23(13-19)22(14-26(34)33(24)2)17-4-3-5-21(29)12-17/h3-14,16,25H,15,30H2,1-2H3/t25?,27-/m0/s1.
What are the key properties of 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one has a molecular weight of 491.42 g/mol, XLogP of 5.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(S)-amino-(4-chlorophenyl)-(3-methyl-4,5-dihydroimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 164672387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).