1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

C20H20N6O2 — CID 91262051

IUPAC1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
SMILESO=C(NC1CCCNC1)c1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12
InChIInChI=1S/C20H20N6O2/c27-19(23-13-3-1-7-21-11-13)15-10-18-24-25-20(28)26(18)17-9-12(5-6-14(15)17)16-4-2-8-22-16/h2,4-6,8-10,13,21-22H,1,3,7,11H2,(H,23,27)(H,25,28)
InChIKeyZVYAKNNDLXJXLV-UHFFFAOYSA-N
MW376.42 g/mol
LogP1.65
Rot. Bonds3

About 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide

1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide (PubChem CID 91262051) has the molecular formula C20H20N6O2 and a molecular weight of 376.42 g/mol. Its IUPAC name is 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide.

Molecular Properties

Compound Name1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
PubChem CID91262051
Molecular FormulaC20H20N6O2
Molecular Weight376.42 g/mol
Exact Mass376.16
IUPAC Name1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide
SMILESO=C(NC1CCCNC1)c1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12
InChIInChI=1S/C20H20N6O2/c27-19(23-13-3-1-7-21-11-13)15-10-18-24-25-20(28)26(18)17-9-12(5-6-14(15)17)16-4-2-8-22-16/h2,4-6,8-10,13,21-22H,1,3,7,11H2,(H,23,27)(H,25,28)
InChIKeyZVYAKNNDLXJXLV-UHFFFAOYSA-N
XLogP1.65
TPSA107.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.42
LogP ≤ 51.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide with MolForge

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Related Compounds

2-chloro-5-phenyl-N-piperidin-3-ylbenzamide
CID 119427288
1-methyl-2-oxo-N-piperidin-3-ylpyridine-3-carboxamide;hydrochloride
CID 119424588
N-piperidin-3-yl-1H-indole-4-carboxamide
CID 63321491
N-[(3R)-piperidin-3-yl]-1H-indole-4-carboxamide
CID 104645556
3-(4-chlorophenyl)-N-piperidin-3-yl-1H-pyrazole-5-carboxamide
CID 119424765
7-fluoro-2-oxo-N-piperidin-3-yl-1H-quinoline-4-carboxamide;hydrochloride
CID 119425856
2,3-dihydroxy-N-piperidin-3-ylbenzamide
CID 114343480
2-amino-N-piperidin-3-ylbenzamide
CID 70159342
5-bromo-N-piperidin-3-yl-1H-indazole-3-carboxamide
CID 119427244
N-piperidin-3-ylbenzamide
CID 22017045
4-chloro-2-methoxy-N-piperidin-3-ylbenzamide
CID 63321384
2-(4-methylphenyl)-6-oxo-N-[(3S)-piperidin-3-yl]-1H-pyrimidine-5-carboxamide
CID 72898424

Frequently Asked Questions

What is the IUPAC name of 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The IUPAC name of 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide (CID 91262051) is 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide.
What is the SMILES notation for 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The canonical SMILES for 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide is O=C(NC1CCCNC1)c1cc2n[nH]c(=O)n2c2cc(-c3ccc[nH]3)ccc12.
What is the InChIKey of 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
The InChIKey is ZVYAKNNDLXJXLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O2/c27-19(23-13-3-1-7-21-11-13)15-10-18-24-25-20(28)26(18)17-9-12(5-6-14(15)17)16-4-2-8-22-16/h2,4-6,8-10,13,21-22H,1,3,7,11H2,(H,23,27)(H,25,28).
What are the key properties of 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide?
1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide has a molecular weight of 376.42 g/mol, XLogP of 1.65, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-oxo-N-piperidin-3-yl-8-(1H-pyrrol-2-yl)-2H-[1,2,4]triazolo[4,3-a]quinoline-5-carboxamide is sourced from PubChem (CID 91262051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).