N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide

C17H20N2O2 — CID 39997986

IUPACN-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCC1CCCC1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H20N2O2/c20-16(18-10-9-12-5-1-2-6-12)14-11-13-7-3-4-8-15(13)19-17(14)21/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,20)(H,19,21)
InChIKeyBKDPLQLVNNUVJR-UHFFFAOYSA-N
MW284.36 g/mol
LogP2.84
Rot. Bonds4

About N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide

N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 39997986) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide
PubChem CID39997986
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC NameN-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCCC1CCCC1)c1cc2ccccc2[nH]c1=O
InChIInChI=1S/C17H20N2O2/c20-16(18-10-9-12-5-1-2-6-12)14-11-13-7-3-4-8-15(13)19-17(14)21/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,20)(H,19,21)
InChIKeyBKDPLQLVNNUVJR-UHFFFAOYSA-N
XLogP2.84
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide (CID 39997986) is N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide is O=C(NCCC1CCCC1)c1cc2ccccc2[nH]c1=O.
What is the InChIKey of N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is BKDPLQLVNNUVJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O2/c20-16(18-10-9-12-5-1-2-6-12)14-11-13-7-3-4-8-15(13)19-17(14)21/h3-4,7-8,11-12H,1-2,5-6,9-10H2,(H,18,20)(H,19,21).
What are the key properties of N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide?
N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylethyl)-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 39997986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).