5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide

C17H14FN3O2 — CID 94947373

IUPAC5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H14FN3O2/c1-21-9-12(16(22)15-13(19)6-3-7-14(15)21)17(23)20-11-5-2-4-10(18)8-11/h2-9H,19H2,1H3,(H,20,23)
InChIKeyBFWGUQGSRCAKDJ-UHFFFAOYSA-N
MW311.32 g/mol
LogP2.51
Rot. Bonds2

About 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide

5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide (PubChem CID 94947373) has the molecular formula C17H14FN3O2 and a molecular weight of 311.32 g/mol. Its IUPAC name is 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
PubChem CID94947373
Molecular FormulaC17H14FN3O2
Molecular Weight311.32 g/mol
Exact Mass311.11
IUPAC Name5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
SMILESCn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2c(N)cccc21
InChIInChI=1S/C17H14FN3O2/c1-21-9-12(16(22)15-13(19)6-3-7-14(15)21)17(23)20-11-5-2-4-10(18)8-11/h2-9H,19H2,1H3,(H,20,23)
InChIKeyBFWGUQGSRCAKDJ-UHFFFAOYSA-N
XLogP2.51
TPSA77.12 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.32
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-amino-N-(3-hydroxyphenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 94947367
5-amino-N-butyl-1-methyl-4-oxoquinoline-3-carboxamide
CID 82212638
1-methyl-N-(3-methylsulfanylphenyl)-4-oxoquinoline-3-carboxamide
CID 30131737
3-amino-N-(3-fluorophenyl)pyridine-4-carboxamide
CID 23633068
4-amino-N-(3-fluorophenyl)pyridine-3-carboxamide
CID 81235930
6-fluoro-N-(4-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide
CID 30133220
2,3,5,6-tetrafluoro-1-N,4-N-bis(3-fluorophenyl)benzene-1,4-dicarboxamide
CID 3094065
2-amino-5-fluoro-N-(3-methylphenyl)benzamide
CID 43132634
4,5-difluoro-N-(3-fluorophenyl)-2-methylbenzamide
CID 686471
N-(3-fluorophenyl)-2,5-dimethylthiophene-3-carboxamide
CID 18196520
N-(3-fluorophenyl)-3-methoxynaphthalene-2-carboxamide
CID 802408
1-methyl-N-phenylindole-3-carboxamide
CID 9038340

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The IUPAC name of 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide (CID 94947373) is 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The canonical SMILES for 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide is Cn1cc(C(=O)Nc2cccc(F)c2)c(=O)c2c(N)cccc21.
What is the InChIKey of 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
The InChIKey is BFWGUQGSRCAKDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O2/c1-21-9-12(16(22)15-13(19)6-3-7-14(15)21)17(23)20-11-5-2-4-10(18)8-11/h2-9H,19H2,1H3,(H,20,23).
What are the key properties of 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide?
5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide has a molecular weight of 311.32 g/mol, XLogP of 2.51, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-fluorophenyl)-1-methyl-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 94947373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).