N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide

C17H14FN3O — CID 24698449

IUPACN-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N)ccc2F)c2ccccc2n1
InChIInChI=1S/C17H14FN3O/c1-10-8-13(12-4-2-3-5-15(12)20-10)17(22)21-16-9-11(19)6-7-14(16)18/h2-9H,19H2,1H3,(H,21,22)
InChIKeyQBSYHEZEXSXEFK-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.52
Rot. Bonds2

About N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide

N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide (PubChem CID 24698449) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide
PubChem CID24698449
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC NameN-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(N)ccc2F)c2ccccc2n1
InChIInChI=1S/C17H14FN3O/c1-10-8-13(12-4-2-3-5-15(12)20-10)17(22)21-16-9-11(19)6-7-14(16)18/h2-9H,19H2,1H3,(H,21,22)
InChIKeyQBSYHEZEXSXEFK-UHFFFAOYSA-N
XLogP3.52
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-fluoro-5-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17434472
N-(2-amino-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 24710172
N-(2-fluoro-4-methylphenyl)-2-methylquinoline-4-carboxamide
CID 17451783
N-(2-chloro-4-fluorophenyl)-2-methylquinoline-4-carboxamide
CID 26364307
N-(2-chlorophenyl)-2-methylquinoline-4-carboxamide
CID 856039
N-(2-fluoro-5-methylphenyl)-2-propan-2-ylquinoline-4-carboxamide
CID 16562783
[2-(5-chloro-2-fluoroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7351421
2-methyl-N-(4-methyl-1,3-thiazol-2-yl)quinoline-4-carboxamide
CID 2085562
N-(2-ethylsulfonylphenyl)-2-methylquinoline-4-carboxamide
CID 55613609
N-(5-amino-2-fluorophenyl)-4-hydroxy-2-methylbenzamide
CID 107670559
2-methyl-N-(2-methylquinolin-4-yl)benzamide
CID 3291896
2-amino-N-(2-methylphenyl)quinoline-4-carboxamide
CID 62154395

Frequently Asked Questions

What is the IUPAC name of N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide?
The IUPAC name of N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide (CID 24698449) is N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide?
The canonical SMILES for N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide is Cc1cc(C(=O)Nc2cc(N)ccc2F)c2ccccc2n1.
What is the InChIKey of N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide?
The InChIKey is QBSYHEZEXSXEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c1-10-8-13(12-4-2-3-5-15(12)20-10)17(22)21-16-9-11(19)6-7-14(16)18/h2-9H,19H2,1H3,(H,21,22).
What are the key properties of N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide?
N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-fluorophenyl)-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 24698449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).