2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide

C14H10ClN3O — CID 79099972

IUPAC2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
SMILESO=C(Nn1cccc1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H10ClN3O/c15-13-9-11(10-5-1-2-6-12(10)16-13)14(19)17-18-7-3-4-8-18/h1-9H,(H,17,19)
InChIKeyZHQHUMVJOJNSCQ-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.07
Rot. Bonds2

About 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide

2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide (PubChem CID 79099972) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
PubChem CID79099972
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC Name2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide
SMILESO=C(Nn1cccc1)c1cc(Cl)nc2ccccc12
InChIInChI=1S/C14H10ClN3O/c15-13-9-11(10-5-1-2-6-12(10)16-13)14(19)17-18-7-3-4-8-18/h1-9H,(H,17,19)
InChIKeyZHQHUMVJOJNSCQ-UHFFFAOYSA-N
XLogP3.07
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
2-chloro-N-(3-methylbutan-2-yl)quinoline-4-carboxamide
CID 43082670
methyl 2-chloroquinoline-4-carboxylate
CID 5202936
2-chloro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)quinoline-4-carboxamide
CID 106180063
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-chloro-N-(2-methyl-1,2,4-triazol-3-yl)quinoline-4-carboxamide
CID 80709861
2-chloro-N-[1-(hydroxymethyl)cyclopentyl]quinoline-4-carboxamide
CID 62517076
2-chloro-N-(1-hydroxybutan-2-yl)quinoline-4-carboxamide
CID 60655129
2-chloro-N-(3,5-dimethoxyphenyl)quinoline-4-carboxamide
CID 9011295
2-chloro-N-(3,4-dimethyl-1,2-oxazol-5-yl)quinoline-4-carboxamide
CID 65486238
2-chloro-N-(1-hydroxy-2-methylbutan-2-yl)quinoline-4-carboxamide
CID 64551167
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide (CID 79099972) is 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide is O=C(Nn1cccc1)c1cc(Cl)nc2ccccc12.
What is the InChIKey of 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide?
The InChIKey is ZHQHUMVJOJNSCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-13-9-11(10-5-1-2-6-12(10)16-13)14(19)17-18-7-3-4-8-18/h1-9H,(H,17,19).
What are the key properties of 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide?
2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 3.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-pyrrol-1-ylquinoline-4-carboxamide is sourced from PubChem (CID 79099972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).