4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one

C33H33ClN4O3 — CID 163565531

IUPAC4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one
SMILESCN1CNC=C1C(O)(c1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C33H33ClN4O3/c1-36-21-35-20-30(36)33(41,24-11-9-22(10-12-24)32(40)38-15-4-3-5-16-38)25-13-14-29-28(18-25)27(19-31(39)37(29)2)23-7-6-8-26(34)17-23/h6-14,17-20,35,41H,3-5,15-16,21H2,1-2H3
InChIKeyFUWDLAANKAAONI-UHFFFAOYSA-N
MW569.11 g/mol
LogP5.05
Rot. Bonds5

About 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one

4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one (PubChem CID 163565531) has the molecular formula C33H33ClN4O3 and a molecular weight of 569.11 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one
PubChem CID163565531
Molecular FormulaC33H33ClN4O3
Molecular Weight569.11 g/mol
Exact Mass568.22
IUPAC Name4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one
SMILESCN1CNC=C1C(O)(c1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C
InChIInChI=1S/C33H33ClN4O3/c1-36-21-35-20-30(36)33(41,24-11-9-22(10-12-24)32(40)38-15-4-3-5-16-38)25-13-14-29-28(18-25)27(19-31(39)37(29)2)23-7-6-8-26(34)17-23/h6-14,17-20,35,41H,3-5,15-16,21H2,1-2H3
InChIKeyFUWDLAANKAAONI-UHFFFAOYSA-N
XLogP5.05
TPSA77.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.11
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one (CID 163565531) is 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one is CN1CNC=C1C(O)(c1ccc(C(=O)N2CCCCC2)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)cc(=O)n2C.
What is the InChIKey of 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one?
The InChIKey is FUWDLAANKAAONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H33ClN4O3/c1-36-21-35-20-30(36)33(41,24-11-9-22(10-12-24)32(40)38-15-4-3-5-16-38)25-13-14-29-28(18-25)27(19-31(39)37(29)2)23-7-6-8-26(34)17-23/h6-14,17-20,35,41H,3-5,15-16,21H2,1-2H3.
What are the key properties of 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one?
4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one has a molecular weight of 569.11 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-1,2-dihydroimidazol-4-yl)-[4-(piperidine-1-carbonyl)phenyl]methyl]-1-methylquinolin-2-one is sourced from PubChem (CID 163565531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).