N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide

C17H22FN3O — CID 119641458

IUPACN-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc2ccc(F)cc2nc1C
InChIInChI=1S/C17H22FN3O/c1-4-17(19,5-2)10-20-16(22)14-8-12-6-7-13(18)9-15(12)21-11(14)3/h6-9H,4-5,10,19H2,1-3H3,(H,20,22)
InChIKeyKWPJTXBBXNPUAV-UHFFFAOYSA-N
MW303.38 g/mol
LogP2.93
Rot. Bonds5

About N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide

N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide (PubChem CID 119641458) has the molecular formula C17H22FN3O and a molecular weight of 303.38 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
PubChem CID119641458
Molecular FormulaC17H22FN3O
Molecular Weight303.38 g/mol
Exact Mass303.17
IUPAC NameN-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1cc2ccc(F)cc2nc1C
InChIInChI=1S/C17H22FN3O/c1-4-17(19,5-2)10-20-16(22)14-8-12-6-7-13(18)9-15(12)21-11(14)3/h6-9H,4-5,10,19H2,1-3H3,(H,20,22)
InChIKeyKWPJTXBBXNPUAV-UHFFFAOYSA-N
XLogP2.93
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.38
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-amino-2-ethylbutyl)-2,4-difluorobenzamide
CID 81483936
7-fluoro-N-(3-methoxypropyl)-2-methylquinoline-3-carboxamide
CID 46532107
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119522928
N-(4-ethylphenyl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 46520271
N-[(2S)-1-aminopropan-2-yl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 120504965
7-fluoro-N-[2-(4-methoxyphenyl)ethyl]-2-methylquinoline-3-carboxamide
CID 17484983
N-(1-amino-2,4-dimethylpentan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide
CID 119598659
7-fluoro-2-methyl-N-(2-quinolin-2-ylethyl)quinoline-3-carboxamide
CID 71940493
N-(1-amino-2-cyclopropylpropan-2-yl)-7-fluoro-2-methylquinoline-3-carboxamide;dihydrochloride
CID 119573824
N-[4-(2,2-dimethylpropanoylamino)phenyl]-7-fluoro-2-methylquinoline-3-carboxamide
CID 24641732
N-(2-amino-2-ethylbutyl)-5-fluoro-2-nitrobenzamide;hydrochloride
CID 119642420
7-fluoro-2-methyl-N-(3-piperazin-1-ylpropyl)quinoline-3-carboxamide;dihydrochloride
CID 119392326

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide (CID 119641458) is N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide is CCC(N)(CC)CNC(=O)c1cc2ccc(F)cc2nc1C.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide?
The InChIKey is KWPJTXBBXNPUAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O/c1-4-17(19,5-2)10-20-16(22)14-8-12-6-7-13(18)9-15(12)21-11(14)3/h6-9H,4-5,10,19H2,1-3H3,(H,20,22).
What are the key properties of N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide?
N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide has a molecular weight of 303.38 g/mol, XLogP of 2.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-7-fluoro-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 119641458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).