2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide

C16H12ClN3O — CID 62155570

IUPAC2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C16H12ClN3O/c17-12-6-2-4-8-14(12)20-16(21)11-9-15(18)19-13-7-3-1-5-10(11)13/h1-9H,(H2,18,19)(H,20,21)
InChIKeyHNFRODILXQKNIN-UHFFFAOYSA-N
MW297.75 g/mol
LogP3.72
Rot. Bonds2

About 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide

2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide (PubChem CID 62155570) has the molecular formula C16H12ClN3O and a molecular weight of 297.75 g/mol. Its IUPAC name is 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide
PubChem CID62155570
Molecular FormulaC16H12ClN3O
Molecular Weight297.75 g/mol
Exact Mass297.07
IUPAC Name2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide
SMILESNc1cc(C(=O)Nc2ccccc2Cl)c2ccccc2n1
InChIInChI=1S/C16H12ClN3O/c17-12-6-2-4-8-14(12)20-16(21)11-9-15(18)19-13-7-3-1-5-10(11)13/h1-9H,(H2,18,19)(H,20,21)
InChIKeyHNFRODILXQKNIN-UHFFFAOYSA-N
XLogP3.72
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.75
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
2-amino-N-(2-methylphenyl)quinoline-4-carboxamide
CID 62154395
N-(2-chlorophenyl)-2-(2,4-dichlorophenyl)quinoline-4-carboxamide
CID 3131012
2-amino-N-tert-butylquinoline-4-carboxamide
CID 62156554
2-amino-N-(1H-pyrazol-4-yl)quinoline-4-carboxamide
CID 62154124
N-(2,6-dichlorophenyl)-2-phenylquinoline-4-carboxamide
CID 2259441
2-amino-N-(1-methylpyrazol-3-yl)quinoline-4-carboxamide
CID 62160962
2-amino-5-chloro-N-naphthalen-1-ylpyridine-4-carboxamide
CID 114921449
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
5-amino-N-(2-chlorophenyl)pyrazine-2-carboxamide
CID 113381822
N-(2-chlorophenyl)-2-hydrazinylbenzamide
CID 62248319
2-(2-chlorophenyl)-N-(2-phenoxyphenyl)quinoline-4-carboxamide
CID 3599973

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide?
The IUPAC name of 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide (CID 62155570) is 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide is Nc1cc(C(=O)Nc2ccccc2Cl)c2ccccc2n1.
What is the InChIKey of 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide?
The InChIKey is HNFRODILXQKNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12ClN3O/c17-12-6-2-4-8-14(12)20-16(21)11-9-15(18)19-13-7-3-1-5-10(11)13/h1-9H,(H2,18,19)(H,20,21).
What are the key properties of 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide?
2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide has a molecular weight of 297.75 g/mol, XLogP of 3.72, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chlorophenyl)quinoline-4-carboxamide is sourced from PubChem (CID 62155570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).