N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C19H22N4O2 — CID 134700379

IUPACN-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1cnn(C2CCCC2)c1NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-12-11-20-23(13-6-2-3-7-13)18(12)22-19(25)15-10-17(24)21-16-9-5-4-8-14(15)16/h4-5,8-9,11,13,15H,2-3,6-7,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyXZLGKQYQBGJSFQ-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.37
Rot. Bonds3

About N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 134700379) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID134700379
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC NameN-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESCc1cnn(C2CCCC2)c1NC(=O)C1CC(=O)Nc2ccccc21
InChIInChI=1S/C19H22N4O2/c1-12-11-20-23(13-6-2-3-7-13)18(12)22-19(25)15-10-17(24)21-16-9-5-4-8-14(15)16/h4-5,8-9,11,13,15H,2-3,6-7,10H2,1H3,(H,21,24)(H,22,25)
InChIKeyXZLGKQYQBGJSFQ-UHFFFAOYSA-N
XLogP3.37
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 134700379) is N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is Cc1cnn(C2CCCC2)c1NC(=O)C1CC(=O)Nc2ccccc21.
What is the InChIKey of N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is XZLGKQYQBGJSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-12-11-20-23(13-6-2-3-7-13)18(12)22-19(25)15-10-17(24)21-16-9-5-4-8-14(15)16/h4-5,8-9,11,13,15H,2-3,6-7,10H2,1H3,(H,21,24)(H,22,25).
What are the key properties of N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 338.41 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopentyl-4-methylpyrazol-5-yl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 134700379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).