[2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone

C19H12ClN3O — CID 4319372

IUPAC[2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)n1cccn1
InChIInChI=1S/C19H12ClN3O/c20-14-8-6-13(7-9-14)18-12-16(19(24)23-11-3-10-21-23)15-4-1-2-5-17(15)22-18/h1-12H
InChIKeyPSUILSHIFUPRNS-UHFFFAOYSA-N
MW333.78 g/mol
LogP4.44
Rot. Bonds2

About [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone

[2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone (PubChem CID 4319372) has the molecular formula C19H12ClN3O and a molecular weight of 333.78 g/mol. Its IUPAC name is [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
PubChem CID4319372
Molecular FormulaC19H12ClN3O
Molecular Weight333.78 g/mol
Exact Mass333.07
IUPAC Name[2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
SMILESO=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)n1cccn1
InChIInChI=1S/C19H12ClN3O/c20-14-8-6-13(7-9-14)18-12-16(19(24)23-11-3-10-21-23)15-4-1-2-5-17(15)22-18/h1-12H
InChIKeyPSUILSHIFUPRNS-UHFFFAOYSA-N
XLogP4.44
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.78
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-methoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
CID 2168689
[2-(4-butoxyphenyl)quinolin-4-yl]-pyrazol-1-ylmethanone
CID 4684967
(4-chlorophenyl)-[4-(2-pyridin-4-ylquinoline-4-carbonyl)piperazin-1-yl]methanone
CID 37068160
2-(4-chlorophenyl)-N-[2-[[2-(4-chlorophenyl)quinoline-4-carbonyl]amino]ethyl]quinoline-4-carboxamide
CID 5115230
1-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperidine-4-carboxamide
CID 2094903
2-(4-chlorophenyl)-N-(4-phenyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2163412
2-[4-(4-carboxylatoquinolin-2-yl)phenyl]quinoline-4-carboxylate
CID 3109026
europium;2-phenylquinoline-4-carboxylic acid
CID 87730786
4-QUINOLINECARBOXYLIC ACID, 2-PHENYL-, SODIUM SALT (1:1)
CID 167996008
2-(4-chlorophenyl)-N-[2-[4-[2-(4-chlorophenyl)quinoline-4-carbonyl]piperazin-1-yl]ethyl]quinoline-4-carboxamide
CID 4618121
N-(4-chloro-2-methylphenyl)-2-(4-chlorophenyl)quinoline-4-carboxamide
CID 7914734
N-(4-chlorophenyl)-2-(4-fluorophenyl)quinoline-4-carboxamide
CID 3131336

Frequently Asked Questions

What is the IUPAC name of [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone?
The IUPAC name of [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone (CID 4319372) is [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone?
The canonical SMILES for [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone is O=C(c1cc(-c2ccc(Cl)cc2)nc2ccccc12)n1cccn1.
What is the InChIKey of [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone?
The InChIKey is PSUILSHIFUPRNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12ClN3O/c20-14-8-6-13(7-9-14)18-12-16(19(24)23-11-3-10-21-23)15-4-1-2-5-17(15)22-18/h1-12H.
What are the key properties of [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone?
[2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone has a molecular weight of 333.78 g/mol, XLogP of 4.44, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-chlorophenyl)quinolin-4-yl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 4319372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).