[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C19H24ClN3O — CID 8892631

IUPAC[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(CC(C)C)c1Cl
InChIInChI=1S/C19H24ClN3O/c1-12(2)11-23-18(20)17(14(4)21-23)19(24)22-9-5-6-15-10-13(3)7-8-16(15)22/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyUDYSVPFHGNAESP-UHFFFAOYSA-N
MW345.87 g/mol
LogP4.40
Rot. Bonds3

About [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 8892631) has the molecular formula C19H24ClN3O and a molecular weight of 345.87 g/mol. Its IUPAC name is [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID8892631
Molecular FormulaC19H24ClN3O
Molecular Weight345.87 g/mol
Exact Mass345.16
IUPAC Name[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(CC(C)C)c1Cl
InChIInChI=1S/C19H24ClN3O/c1-12(2)11-23-18(20)17(14(4)21-23)19(24)22-9-5-6-15-10-13(3)7-8-16(15)22/h7-8,10,12H,5-6,9,11H2,1-4H3
InChIKeyUDYSVPFHGNAESP-UHFFFAOYSA-N
XLogP4.40
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.87
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(4-fluorophenyl)-3,5-dimethylpyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 8893058
[5-chloro-3-methyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]-(2,3-dihydroindol-1-yl)methanone
CID 4963728
4-hydroxy-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 79204921
2-amino-4-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 24702474
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817
1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
CID 19498626
(4-chloro-6-methyl-3-pyridinyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 81228751
2-[4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazol-1-yl]propanoic acid
CID 19504620
[2-(2,3-dihydroindol-1-yl)-2-oxoethyl] 5-chloro-3-methyl-1-(2-methylpropyl)pyrazole-4-carboxylate
CID 7904528
(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
(5-amino-2-chlorophenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 29044601
(1-benzyl-5-chloro-3-methylpyrazol-4-yl)-(2,3-dihydroindol-1-yl)methanone
CID 26290398

Frequently Asked Questions

What is the IUPAC name of [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 8892631) is [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1c(C)nn(CC(C)C)c1Cl.
What is the InChIKey of [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is UDYSVPFHGNAESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24ClN3O/c1-12(2)11-23-18(20)17(14(4)21-23)19(24)22-9-5-6-15-10-13(3)7-8-16(15)22/h7-8,10,12H,5-6,9,11H2,1-4H3.
What are the key properties of [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 345.87 g/mol, XLogP of 4.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-chloro-3-methyl-1-(2-methylpropyl)pyrazol-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 8892631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).