7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide

C15H12ClN5O2 — CID 71859391

IUPAC7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide
SMILESO=C(CNC(=O)c1ccc2ccc(Cl)cc2n1)Nc1cn[nH]c1
InChIInChI=1S/C15H12ClN5O2/c16-10-3-1-9-2-4-12(21-13(9)5-10)15(23)17-8-14(22)20-11-6-18-19-7-11/h1-7H,8H2,(H,17,23)(H,18,19)(H,20,22)
InChIKeyLQYSBYDLIBPEPI-UHFFFAOYSA-N
MW329.75 g/mol
LogP1.98
Rot. Bonds4

About 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide

7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide (PubChem CID 71859391) has the molecular formula C15H12ClN5O2 and a molecular weight of 329.75 g/mol. Its IUPAC name is 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide.

Molecular Properties

Compound Name7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide
PubChem CID71859391
Molecular FormulaC15H12ClN5O2
Molecular Weight329.75 g/mol
Exact Mass329.07
IUPAC Name7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide
SMILESO=C(CNC(=O)c1ccc2ccc(Cl)cc2n1)Nc1cn[nH]c1
InChIInChI=1S/C15H12ClN5O2/c16-10-3-1-9-2-4-12(21-13(9)5-10)15(23)17-8-14(22)20-11-6-18-19-7-11/h1-7H,8H2,(H,17,23)(H,18,19)(H,20,22)
InChIKeyLQYSBYDLIBPEPI-UHFFFAOYSA-N
XLogP1.98
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.75
LogP ≤ 51.98
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 56822305
7-chloro-N-(3-methoxypropyl)quinoline-2-carboxamide
CID 110490274
2-(4-chlorophenyl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]cyclopropane-1-carboxamide
CID 56783038
3-(4-chlorophenyl)sulfanyl-N-(1H-pyrazol-4-yl)propanamide
CID 43430717
4-chloro-N-[2-(4-chloroanilino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068732
3-(5-chloro-2-methoxyanilino)-N-(1H-pyrazol-4-yl)propanamide
CID 51096700
3-chloro-N-(1H-pyrazol-4-yl)benzamide
CID 43429419
1-(4-chlorophenyl)-3-(1H-pyrazol-4-yl)urea
CID 43430035
3-(3-chloro-4-methylphenyl)-N-(1H-pyrazol-4-yl)propanamide
CID 43429706
2-[(5-chloro-2-pyridinyl)-methylamino]-N-(1H-pyrazol-4-yl)acetamide
CID 43540473
(2S)-2-(5-chlorothiophen-2-yl)-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]propanamide
CID 97221772
4-chloro-N-[2-(naphthalen-2-ylamino)-2-oxoethyl]pyridine-2-carboxamide
CID 9068575

Frequently Asked Questions

What is the IUPAC name of 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide?
The IUPAC name of 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide (CID 71859391) is 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide.
What is the SMILES notation for 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide?
The canonical SMILES for 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide is O=C(CNC(=O)c1ccc2ccc(Cl)cc2n1)Nc1cn[nH]c1.
What is the InChIKey of 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide?
The InChIKey is LQYSBYDLIBPEPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN5O2/c16-10-3-1-9-2-4-12(21-13(9)5-10)15(23)17-8-14(22)20-11-6-18-19-7-11/h1-7H,8H2,(H,17,23)(H,18,19)(H,20,22).
What are the key properties of 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide?
7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide has a molecular weight of 329.75 g/mol, XLogP of 1.98, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-N-[2-oxo-2-(1H-pyrazol-4-ylamino)ethyl]quinoline-2-carboxamide is sourced from PubChem (CID 71859391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).