6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one

C26H20Cl2N4O — CID 59157844

IUPAC6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cnc[nH]3)ccc21
InChIInChI=1S/C26H20Cl2N4O/c1-32-23-10-7-18(12-22(23)21(13-25(32)33)16-3-2-4-20(28)11-16)26(29,24-14-30-15-31-24)17-5-8-19(27)9-6-17/h2-15H,29H2,1H3,(H,30,31)/t26-/m1/s1
InChIKeyVSCDPKDUILXMCG-AREMUKBSSA-N
MW475.38 g/mol
LogP5.49
Rot. Bonds4

About 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one

6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one (PubChem CID 59157844) has the molecular formula C26H20Cl2N4O and a molecular weight of 475.38 g/mol. Its IUPAC name is 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one.

Molecular Properties

Compound Name6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
PubChem CID59157844
Molecular FormulaC26H20Cl2N4O
Molecular Weight475.38 g/mol
Exact Mass474.10
IUPAC Name6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one
SMILESCn1c(=O)cc(-c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cnc[nH]3)ccc21
InChIInChI=1S/C26H20Cl2N4O/c1-32-23-10-7-18(12-22(23)21(13-25(32)33)16-3-2-4-20(28)11-16)26(29,24-14-30-15-31-24)17-5-8-19(27)9-6-17/h2-15H,29H2,1H3,(H,30,31)/t26-/m1/s1
InChIKeyVSCDPKDUILXMCG-AREMUKBSSA-N
XLogP5.49
TPSA76.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.38
LogP ≤ 55.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one (CID 59157844) is 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one.
What is the SMILES notation for 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The canonical SMILES for 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one is Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc([C@](N)(c3ccc(Cl)cc3)c3cnc[nH]3)ccc21.
What is the InChIKey of 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
The InChIKey is VSCDPKDUILXMCG-AREMUKBSSA-N. The full InChI is InChI=1S/C26H20Cl2N4O/c1-32-23-10-7-18(12-22(23)21(13-25(32)33)16-3-2-4-20(28)11-16)26(29,24-14-30-15-31-24)17-5-8-19(27)9-6-17/h2-15H,29H2,1H3,(H,30,31)/t26-/m1/s1.
What are the key properties of 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one?
6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one has a molecular weight of 475.38 g/mol, XLogP of 5.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-amino-(4-chlorophenyl)-(1H-imidazol-5-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one is sourced from PubChem (CID 59157844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).