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

C27H23ClN4O — CID 21302375

IUPAC6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one
SMILESCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C
InChIInChI=1S/C27H23ClN4O/c1-31-17-30-16-25(31)27(29,19-8-11-21(28)12-9-19)20-10-13-24-23(14-20)22(15-26(33)32(24)2)18-6-4-3-5-7-18/h3-17H,29H2,1-2H3
InChIKeyAZJGHQDKTZLTOT-UHFFFAOYSA-N
MW454.96 g/mol
LogP4.84
Rot. Bonds4

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

6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one (PubChem CID 21302375) has the molecular formula C27H23ClN4O and a molecular weight of 454.96 g/mol. Its IUPAC name is 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one
PubChem CID21302375
Molecular FormulaC27H23ClN4O
Molecular Weight454.96 g/mol
Exact Mass454.16
IUPAC Name6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one
SMILESCn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C
InChIInChI=1S/C27H23ClN4O/c1-31-17-30-16-25(31)27(29,19-8-11-21(28)12-9-19)20-10-13-24-23(14-20)22(15-26(33)32(24)2)18-6-4-3-5-7-18/h3-17H,29H2,1-2H3
InChIKeyAZJGHQDKTZLTOT-UHFFFAOYSA-N
XLogP4.84
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.96
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one?
The IUPAC name of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one (CID 21302375) is 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one.
What is the SMILES notation for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one?
The canonical SMILES for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one is Cn1cncc1C(N)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C.
What is the InChIKey of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one?
The InChIKey is AZJGHQDKTZLTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23ClN4O/c1-31-17-30-16-25(31)27(29,19-8-11-21(28)12-9-19)20-10-13-24-23(14-20)22(15-26(33)32(24)2)18-6-4-3-5-7-18/h3-17H,29H2,1-2H3.
What are the key properties of 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one?
6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one has a molecular weight of 454.96 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one is sourced from PubChem (CID 21302375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).