2-amino-N-methyl-N-phenylquinoline-4-carboxamide

C17H15N3O — CID 62155545

IUPAC2-amino-N-methyl-N-phenylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(N)nc2ccccc12)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-20(12-7-3-2-4-8-12)17(21)14-11-16(18)19-15-10-6-5-9-13(14)15/h2-11H,1H3,(H2,18,19)
InChIKeyOGMJIVAKEOUJOJ-UHFFFAOYSA-N
MW277.33 g/mol
LogP3.09
Rot. Bonds2

About 2-amino-N-methyl-N-phenylquinoline-4-carboxamide

2-amino-N-methyl-N-phenylquinoline-4-carboxamide (PubChem CID 62155545) has the molecular formula C17H15N3O and a molecular weight of 277.33 g/mol. Its IUPAC name is 2-amino-N-methyl-N-phenylquinoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-N-methyl-N-phenylquinoline-4-carboxamide
PubChem CID62155545
Molecular FormulaC17H15N3O
Molecular Weight277.33 g/mol
Exact Mass277.12
IUPAC Name2-amino-N-methyl-N-phenylquinoline-4-carboxamide
SMILESCN(C(=O)c1cc(N)nc2ccccc12)c1ccccc1
InChIInChI=1S/C17H15N3O/c1-20(12-7-3-2-4-8-12)17(21)14-11-16(18)19-15-10-6-5-9-13(14)15/h2-11H,1H3,(H2,18,19)
InChIKeyOGMJIVAKEOUJOJ-UHFFFAOYSA-N
XLogP3.09
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.33
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-methyl-N-phenylquinoline-4-carboxamide?
The IUPAC name of 2-amino-N-methyl-N-phenylquinoline-4-carboxamide (CID 62155545) is 2-amino-N-methyl-N-phenylquinoline-4-carboxamide.
What is the SMILES notation for 2-amino-N-methyl-N-phenylquinoline-4-carboxamide?
The canonical SMILES for 2-amino-N-methyl-N-phenylquinoline-4-carboxamide is CN(C(=O)c1cc(N)nc2ccccc12)c1ccccc1.
What is the InChIKey of 2-amino-N-methyl-N-phenylquinoline-4-carboxamide?
The InChIKey is OGMJIVAKEOUJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O/c1-20(12-7-3-2-4-8-12)17(21)14-11-16(18)19-15-10-6-5-9-13(14)15/h2-11H,1H3,(H2,18,19).
What are the key properties of 2-amino-N-methyl-N-phenylquinoline-4-carboxamide?
2-amino-N-methyl-N-phenylquinoline-4-carboxamide has a molecular weight of 277.33 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-methyl-N-phenylquinoline-4-carboxamide is sourced from PubChem (CID 62155545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).