[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C20H18ClN3O — CID 55872122

IUPAC[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cnn(-c3cccc(Cl)c3)c1)CCC2
InChIInChI=1S/C20H18ClN3O/c1-14-5-2-6-15-7-4-10-23(19(14)15)20(25)16-12-22-24(13-16)18-9-3-8-17(21)11-18/h2-3,5-6,8-9,11-13H,4,7,10H2,1H3
InChIKeyQOFGYVFDFZTSQT-UHFFFAOYSA-N
MW351.84 g/mol
LogP4.43
Rot. Bonds2

About [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55872122) has the molecular formula C20H18ClN3O and a molecular weight of 351.84 g/mol. Its IUPAC name is [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55872122
Molecular FormulaC20H18ClN3O
Molecular Weight351.84 g/mol
Exact Mass351.11
IUPAC Name[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)c1cnn(-c3cccc(Cl)c3)c1)CCC2
InChIInChI=1S/C20H18ClN3O/c1-14-5-2-6-15-7-4-10-23(19(14)15)20(25)16-12-22-24(13-16)18-9-3-8-17(21)11-18/h2-3,5-6,8-9,11-13H,4,7,10H2,1H3
InChIKeyQOFGYVFDFZTSQT-UHFFFAOYSA-N
XLogP4.43
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

[1-(4-chlorophenyl)pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835848
(2-amino-4-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112240
(4-chloro-6-methyl-3-pyridinyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81229573
(3-chloro-4,5-dimethoxyphenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 51289133
(2-chlorofuran-3-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 106685630
[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
CID 112835745
1-[1-(3-chlorophenyl)pyrazole-4-carbonyl]piperidine-4-carboxylic acid
CID 154739511
(1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 78836996
[1-(3-chlorophenyl)pyrazol-4-yl]-[(2S,6R)-2,6-dimethylmorpholin-4-yl]methanone
CID 94582638
(4-amino-2-chlorophenyl)-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 61112430
[1-(3-chlorophenyl)pyrazol-4-yl]-[(3R)-3-(methylaminomethyl)piperidin-1-yl]methanone
CID 124684827
5-(8-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-2-one
CID 60704811

Frequently Asked Questions

What is the IUPAC name of [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55872122) is [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1cccc2c1N(C(=O)c1cnn(-c3cccc(Cl)c3)c1)CCC2.
What is the InChIKey of [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is QOFGYVFDFZTSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3O/c1-14-5-2-6-15-7-4-10-23(19(14)15)20(25)16-12-22-24(13-16)18-9-3-8-17(21)11-18/h2-3,5-6,8-9,11-13H,4,7,10H2,1H3.
What are the key properties of [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 351.84 g/mol, XLogP of 4.43, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(3-chlorophenyl)pyrazol-4-yl]-(8-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55872122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).