1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

C21H30N4O2 — CID 91925196

IUPAC1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C12CCCC=C1N(C1CCCC1)C(=O)CC2
InChIInChI=1S/C21H30N4O2/c1-14-17(15(2)24-23-14)13-22-20(27)21-11-6-5-9-18(21)25(19(26)10-12-21)16-7-3-4-8-16/h9,16H,3-8,10-13H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyJQXQASDJKPKGHN-UHFFFAOYSA-N
MW370.50 g/mol
LogP3.26
Rot. Bonds4

About 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide

1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925196) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925196
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCc1n[nH]c(C)c1CNC(=O)C12CCCC=C1N(C1CCCC1)C(=O)CC2
InChIInChI=1S/C21H30N4O2/c1-14-17(15(2)24-23-14)13-22-20(27)21-11-6-5-9-18(21)25(19(26)10-12-21)16-7-3-4-8-16/h9,16H,3-8,10-13H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyJQXQASDJKPKGHN-UHFFFAOYSA-N
XLogP3.26
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925196) is 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is Cc1n[nH]c(C)c1CNC(=O)C12CCCC=C1N(C1CCCC1)C(=O)CC2.
What is the InChIKey of 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is JQXQASDJKPKGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-14-17(15(2)24-23-14)13-22-20(27)21-11-6-5-9-18(21)25(19(26)10-12-21)16-7-3-4-8-16/h9,16H,3-8,10-13H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 3.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[(3,5-dimethyl-1H-pyrazol-4-yl)methyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).