3-amino-2-phenylquinoline-4-carboxamide

C16H13N3O — CID 140977990

IUPAC3-amino-2-phenylquinoline-4-carboxamide
SMILESNC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13N3O/c17-14-13(16(18)20)11-8-4-5-9-12(11)19-15(14)10-6-2-1-3-7-10/h1-9H,17H2,(H2,18,20)
InChIKeyJXKRAFXOBDJGPP-UHFFFAOYSA-N
MW263.30 g/mol
LogP2.58
Rot. Bonds2

About 3-amino-2-phenylquinoline-4-carboxamide

3-amino-2-phenylquinoline-4-carboxamide (PubChem CID 140977990) has the molecular formula C16H13N3O and a molecular weight of 263.30 g/mol. Its IUPAC name is 3-amino-2-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name3-amino-2-phenylquinoline-4-carboxamide
PubChem CID140977990
Molecular FormulaC16H13N3O
Molecular Weight263.30 g/mol
Exact Mass263.11
IUPAC Name3-amino-2-phenylquinoline-4-carboxamide
SMILESNC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12
InChIInChI=1S/C16H13N3O/c17-14-13(16(18)20)11-8-4-5-9-12(11)19-15(14)10-6-2-1-3-7-10/h1-9H,17H2,(H2,18,20)
InChIKeyJXKRAFXOBDJGPP-UHFFFAOYSA-N
XLogP2.58
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenylquinoline-3,4-dicarboxylic acid
CID 71341092
3-(2-methylsulfanylethyl)-2-phenylquinoline-4-carboxamide
CID 154178448
4-phenylquinazoline-2-carboxamide
CID 14528191
methyl 2-(4-carbamoyl-2-phenylquinolin-3-yl)-2-phenylacetate
CID 67629826
3-amino-2-phenyl-N-[(1S)-1-phenylpropyl]quinoline-4-carboxamide
CID 10762413
3-methyl-2-phenylquinoline-4-carboxylic acid;hydrochloride
CID 140991456
(3-hydroxy-2-phenylquinolin-4-yl)-phenylmethanone
CID 132540835
N-(diaminomethylidene)-3-methyl-2-phenylquinoline-4-carboxamide
CID 54166006
3-amino-N-[cyclopropyl(phenyl)methyl]-2-phenylquinoline-4-carboxamide
CID 52942335
3-(methylsulfonylmethyl)-2-phenylquinoline-4-carboxylic acid
CID 59799728
2-phenylquinoline-3-carboxamide
CID 22159420
3-(dimethylamino)-2-phenylquinoline-4-carboxylic acid
CID 16643681

Frequently Asked Questions

What is the IUPAC name of 3-amino-2-phenylquinoline-4-carboxamide?
The IUPAC name of 3-amino-2-phenylquinoline-4-carboxamide (CID 140977990) is 3-amino-2-phenylquinoline-4-carboxamide.
What is the SMILES notation for 3-amino-2-phenylquinoline-4-carboxamide?
The canonical SMILES for 3-amino-2-phenylquinoline-4-carboxamide is NC(=O)c1c(N)c(-c2ccccc2)nc2ccccc12.
What is the InChIKey of 3-amino-2-phenylquinoline-4-carboxamide?
The InChIKey is JXKRAFXOBDJGPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O/c17-14-13(16(18)20)11-8-4-5-9-12(11)19-15(14)10-6-2-1-3-7-10/h1-9H,17H2,(H2,18,20).
What are the key properties of 3-amino-2-phenylquinoline-4-carboxamide?
3-amino-2-phenylquinoline-4-carboxamide has a molecular weight of 263.30 g/mol, XLogP of 2.58, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2-phenylquinoline-4-carboxamide is sourced from PubChem (CID 140977990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).