N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide

C17H20FN3O — CID 119582736

IUPACN-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C17H20FN3O/c1-10(9-19)21(2)17(22)14-8-16(11-3-4-11)20-15-6-5-12(18)7-13(14)15/h5-8,10-11H,3-4,9,19H2,1-2H3
InChIKeyROHVTXZLIAECPJ-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.67
Rot. Bonds4

About N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide

N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide (PubChem CID 119582736) has the molecular formula C17H20FN3O and a molecular weight of 301.37 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
PubChem CID119582736
Molecular FormulaC17H20FN3O
Molecular Weight301.37 g/mol
Exact Mass301.16
IUPAC NameN-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
SMILESCC(CN)N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12
InChIInChI=1S/C17H20FN3O/c1-10(9-19)21(2)17(22)14-8-16(11-3-4-11)20-15-6-5-12(18)7-13(14)15/h5-8,10-11H,3-4,9,19H2,1-2H3
InChIKeyROHVTXZLIAECPJ-UHFFFAOYSA-N
XLogP2.67
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide
CID 119654166
2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 71870785
3-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)-(2-methylpropyl)amino]propanoic acid
CID 120516515
N-(3-aminopropyl)-2-cyclopropyl-6-fluoroquinoline-4-carboxamide
CID 119406380
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]acetic acid
CID 119350246
2-cyclopropyl-6-fluoro-N-(4-hydroxy-2-methylpentyl)quinoline-4-carboxamide
CID 111470297
2-cyclopropyl-6-fluoro-N-methyl-N-(1-methyl-2-oxopyrrolidin-3-yl)quinoline-4-carboxamide
CID 71994606
[2-(aminomethyl)piperidin-1-yl]-(2-cyclopropyl-6-fluoroquinolin-4-yl)methanone;dihydrochloride
CID 119467502
2-cyclopropyl-6-fluoro-N-[2-[(R)-methylsulfinyl]ethyl]quinoline-4-carboxamide
CID 95782044
2-cyclopropyl-6-fluoro-N-(2-thiophen-2-ylpropyl)quinoline-4-carboxamide
CID 166216439
2-cyclopropyl-6-fluoro-N-methylsulfonylquinoline-4-carboxamide
CID 146154707
2-[(2-cyclopropyl-6-fluoroquinoline-4-carbonyl)amino]-2-methylpropanoic acid
CID 120515978

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide (CID 119582736) is N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide is CC(CN)N(C)C(=O)c1cc(C2CC2)nc2ccc(F)cc12.
What is the InChIKey of N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide?
The InChIKey is ROHVTXZLIAECPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O/c1-10(9-19)21(2)17(22)14-8-16(11-3-4-11)20-15-6-5-12(18)7-13(14)15/h5-8,10-11H,3-4,9,19H2,1-2H3.
What are the key properties of N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide?
N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide has a molecular weight of 301.37 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2-cyclopropyl-6-fluoro-N-methylquinoline-4-carboxamide is sourced from PubChem (CID 119582736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).