6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one

C26H21ClN4O2 — CID 142129216

IUPAC6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one
SMILESCn1cnnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C
InChIInChI=1S/C26H21ClN4O2/c1-30-16-28-29-25(30)26(33,18-8-11-20(27)12-9-18)19-10-13-23-22(14-19)21(15-24(32)31(23)2)17-6-4-3-5-7-17/h3-16,33H,1-2H3
InChIKeyBGMXEIUPBIVUMJ-UHFFFAOYSA-N
MW456.93 g/mol
LogP4.27
Rot. Bonds4

About 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one

6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one (PubChem CID 142129216) has the molecular formula C26H21ClN4O2 and a molecular weight of 456.93 g/mol. Its IUPAC name is 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one.

Molecular Properties

Compound Name6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one
PubChem CID142129216
Molecular FormulaC26H21ClN4O2
Molecular Weight456.93 g/mol
Exact Mass456.14
IUPAC Name6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one
SMILESCn1cnnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C
InChIInChI=1S/C26H21ClN4O2/c1-30-16-28-29-25(30)26(33,18-8-11-20(27)12-9-18)19-10-13-23-22(14-19)21(15-24(32)31(23)2)17-6-4-3-5-7-17/h3-16,33H,1-2H3
InChIKeyBGMXEIUPBIVUMJ-UHFFFAOYSA-N
XLogP4.27
TPSA72.94 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one with MolForge

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Related Compounds

ethyl 2-[4-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-2-oxoquinolin-1-yl]acetate
CID 58799332
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one
CID 46237255
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;methane
CID 143910641
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-(2-methyl-4-pyridinyl)quinolin-2-one
CID 70942774
6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 56843795
6-[(R)-(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-4-(3-ethynylphenyl)-1-methylquinolin-2-one;(2S,3S)-2,3-dihydroxybutanedioic acid
CID 51002534
6-[(4-chlorophenyl)-methoxy-(3-methylimidazol-4-yl)methyl]-1-methyl-4-phenylquinolin-2-one;2,2,2-trifluoroacetic acid
CID 46237254
4-(3-chloro-2-methylphenyl)-6-[(4-chlorophenyl)-hydroxy-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 25259058
4-(3-chlorophenyl)-6-[hydroxy-[4-[(2-hydroxyethylamino)methyl]phenyl]-(3-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 58799365
6-(4-chlorobenzoyl)-4-(4-chlorophenyl)-1-methylquinolin-2-one
CID 101359142
6-[(R)-amino-(4-chlorophenyl)-(3-methylimidazol-4-yl)methyl]-4-(3-chlorophenyl)-1-methylquinolin-2-one;hydrochloride
CID 168994781
5-(3-chlorophenyl)-6-[(4-chlorophenyl)-hydroxy-(1-methylimidazol-4-yl)methyl]-1-methylquinolin-2-one
CID 10278073

Frequently Asked Questions

What is the IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one?
The IUPAC name of 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one (CID 142129216) is 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one.
What is the SMILES notation for 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one?
The canonical SMILES for 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one is Cn1cnnc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1ccccc1)cc(=O)n2C.
What is the InChIKey of 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one?
The InChIKey is BGMXEIUPBIVUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21ClN4O2/c1-30-16-28-29-25(30)26(33,18-8-11-20(27)12-9-18)19-10-13-23-22(14-19)21(15-24(32)31(23)2)17-6-4-3-5-7-17/h3-16,33H,1-2H3.
What are the key properties of 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one?
6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one has a molecular weight of 456.93 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(4-chlorophenyl)-hydroxy-(4-methyl-1,2,4-triazol-3-yl)methyl]-1-methyl-4-phenylquinolin-2-one is sourced from PubChem (CID 142129216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).