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

C21H30N4O2 — CID 91925199

IUPAC1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCc1nccn1CCNC(=O)C12CCCC=C1N(C1CCCC1)C(=O)CC2
InChIInChI=1S/C21H30N4O2/c1-16-22-12-14-24(16)15-13-23-20(27)21-10-5-4-8-18(21)25(19(26)9-11-21)17-6-2-3-7-17/h8,12,14,17H,2-7,9-11,13,15H2,1H3,(H,23,27)
InChIKeyDERQTVXJZFUKNI-UHFFFAOYSA-N
MW370.50 g/mol
LogP2.93
Rot. Bonds5

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

1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (PubChem CID 91925199) has the molecular formula C21H30N4O2 and a molecular weight of 370.50 g/mol. Its IUPAC name is 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.

Molecular Properties

Compound Name1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
PubChem CID91925199
Molecular FormulaC21H30N4O2
Molecular Weight370.50 g/mol
Exact Mass370.24
IUPAC Name1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide
SMILESCc1nccn1CCNC(=O)C12CCCC=C1N(C1CCCC1)C(=O)CC2
InChIInChI=1S/C21H30N4O2/c1-16-22-12-14-24(16)15-13-23-20(27)21-10-5-4-8-18(21)25(19(26)9-11-21)17-6-2-3-7-17/h8,12,14,17H,2-7,9-11,13,15H2,1H3,(H,23,27)
InChIKeyDERQTVXJZFUKNI-UHFFFAOYSA-N
XLogP2.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.50
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The IUPAC name of 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide (CID 91925199) is 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide.
What is the SMILES notation for 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The canonical SMILES for 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is Cc1nccn1CCNC(=O)C12CCCC=C1N(C1CCCC1)C(=O)CC2.
What is the InChIKey of 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
The InChIKey is DERQTVXJZFUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O2/c1-16-22-12-14-24(16)15-13-23-20(27)21-10-5-4-8-18(21)25(19(26)9-11-21)17-6-2-3-7-17/h8,12,14,17H,2-7,9-11,13,15H2,1H3,(H,23,27).
What are the key properties of 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide?
1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide has a molecular weight of 370.50 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-N-[2-(2-methylimidazol-1-yl)ethyl]-2-oxo-4,5,6,7-tetrahydro-3H-quinoline-4a-carboxamide is sourced from PubChem (CID 91925199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).