6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one

C31H25ClN4O — CID 44590271

IUPAC6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one
SMILESCn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc3ccccc13)cc(=O)n2C
InChIInChI=1S/C31H25ClN4O/c1-35-19-34-18-29(35)31(33,21-10-13-23(32)14-11-21)22-12-15-28-27(16-22)26(17-30(37)36(28)2)25-9-5-7-20-6-3-4-8-24(20)25/h3-19H,33H2,1-2H3/t31-/m1/s1
InChIKeyRNXCYTSKNUJZDX-WJOKGBTCSA-N
MW505.02 g/mol
LogP6.00
Rot. Bonds4

About 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one

6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one (PubChem CID 44590271) has the molecular formula C31H25ClN4O and a molecular weight of 505.02 g/mol. Its IUPAC name is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one.

Molecular Properties

Compound Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one
PubChem CID44590271
Molecular FormulaC31H25ClN4O
Molecular Weight505.02 g/mol
Exact Mass504.17
IUPAC Name6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one
SMILESCn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc3ccccc13)cc(=O)n2C
InChIInChI=1S/C31H25ClN4O/c1-35-19-34-18-29(35)31(33,21-10-13-23(32)14-11-21)22-12-15-28-27(16-22)26(17-30(37)36(28)2)25-9-5-7-20-6-3-4-8-24(20)25/h3-19H,33H2,1-2H3/t31-/m1/s1
InChIKeyRNXCYTSKNUJZDX-WJOKGBTCSA-N
XLogP6.00
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.02
LogP ≤ 56.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one?
The IUPAC name of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one (CID 44590271) is 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one.
What is the SMILES notation for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one?
The canonical SMILES for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one is Cn1cncc1[C@@](N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc3ccccc13)cc(=O)n2C.
What is the InChIKey of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one?
The InChIKey is RNXCYTSKNUJZDX-WJOKGBTCSA-N. The full InChI is InChI=1S/C31H25ClN4O/c1-35-19-34-18-29(35)31(33,21-10-13-23(32)14-11-21)22-12-15-28-27(16-22)26(17-30(37)36(28)2)25-9-5-7-20-6-3-4-8-24(20)25/h3-19H,33H2,1-2H3/t31-/m1/s1.
What are the key properties of 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one?
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one has a molecular weight of 505.02 g/mol, XLogP of 6.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-naphthalen-1-ylquinolin-2-one is sourced from PubChem (CID 44590271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).