4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one

C25H19ClN4O2 — CID 142651737

IUPAC4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one
SMILESCn1cnc(-c2cccnc2)c1C(O)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H19ClN4O2/c1-30-14-28-23(17-5-3-9-27-13-17)24(30)25(32)16-7-8-21-20(11-16)19(12-22(31)29-21)15-4-2-6-18(26)10-15/h2-14,25,32H,1H3,(H,29,31)
InChIKeyHDCMKRXHHOVMFG-UHFFFAOYSA-N
MW442.91 g/mol
LogP4.73
Rot. Bonds4

About 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one

4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one (PubChem CID 142651737) has the molecular formula C25H19ClN4O2 and a molecular weight of 442.91 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one
PubChem CID142651737
Molecular FormulaC25H19ClN4O2
Molecular Weight442.91 g/mol
Exact Mass442.12
IUPAC Name4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one
SMILESCn1cnc(-c2cccnc2)c1C(O)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1
InChIInChI=1S/C25H19ClN4O2/c1-30-14-28-23(17-5-3-9-27-13-17)24(30)25(32)16-7-8-21-20(11-16)19(12-22(31)29-21)15-4-2-6-18(26)10-15/h2-14,25,32H,1H3,(H,29,31)
InChIKeyHDCMKRXHHOVMFG-UHFFFAOYSA-N
XLogP4.73
TPSA83.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.91
LogP ≤ 54.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-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

Related Compounds

4-(3-chlorophenyl)-6-[hydroxy-[4-[(Z)-hydroxyiminomethyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1H-quinolin-2-one
CID 10206331
[4-(3-chlorophenyl)-2-methoxyquinolin-6-yl]-(3-methylimidazol-4-yl)methanol
CID 22048492
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxymethyl]-1-methyl-1,7-naphthyridin-2-one;1-methylimidazole
CID 143997357
6-(3-chlorophenyl)-4-methyl-1H-quinolin-2-one
CID 22279011
[1-(3-chlorophenyl)-3-(2-fluorophenyl)pyrrol-2-yl]-pyridin-3-ylmethanol
CID 90710853
5-(3-chlorophenyl)-3-methylimidazol-4-amine
CID 53275817
3-chloro-6-methyl-5-pyridin-3-yl-1H-pyridin-2-one
CID 20514967
4-(3-chlorophenyl)-1-[hydroxy(dipyridin-3-yl)methyl]quinolin-2-one
CID 70149602
3-(4-chloro-2-methylphenyl)pyridine
CID 46317046
2,4-dimethyl-5-pyridin-3-yl-1,2,4-triazol-3-one
CID 126953697
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-imidazol-1-ylmethyl]-1-methylquinolin-2-one
CID 11604992
4-(3-chlorophenyl)-6-[(4-chlorophenyl)-(2-phenyl-1H-imidazol-5-yl)methyl]-1H-quinazolin-2-one
CID 57051970

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one?
The IUPAC name of 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one (CID 142651737) is 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one.
What is the SMILES notation for 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one?
The canonical SMILES for 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one is Cn1cnc(-c2cccnc2)c1C(O)c1ccc2[nH]c(=O)cc(-c3cccc(Cl)c3)c2c1.
What is the InChIKey of 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one?
The InChIKey is HDCMKRXHHOVMFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19ClN4O2/c1-30-14-28-23(17-5-3-9-27-13-17)24(30)25(32)16-7-8-21-20(11-16)19(12-22(31)29-21)15-4-2-6-18(26)10-15/h2-14,25,32H,1H3,(H,29,31).
What are the key properties of 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one?
4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one has a molecular weight of 442.91 g/mol, XLogP of 4.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-6-[hydroxy-(3-methyl-5-pyridin-3-ylimidazol-4-yl)methyl]-1H-quinolin-2-one is sourced from PubChem (CID 142651737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).