N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

C14H19ClFN3O2 — CID 119522411

IUPACN-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1CC(=O)Nc2cc(F)ccc21.Cl
InChIInChI=1S/C14H18FN3O2.ClH/c1-14(2,7-16)18-13(20)10-6-12(19)17-11-5-8(15)3-4-9(10)11;/h3-5,10H,6-7,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyCRJBDMYANJYWGL-UHFFFAOYSA-N
MW315.78 g/mol
LogP1.53
Rot. Bonds3

About N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119522411) has the molecular formula C14H19ClFN3O2 and a molecular weight of 315.78 g/mol. Its IUPAC name is N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119522411
Molecular FormulaC14H19ClFN3O2
Molecular Weight315.78 g/mol
Exact Mass315.11
IUPAC NameN-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCC(C)(CN)NC(=O)C1CC(=O)Nc2cc(F)ccc21.Cl
InChIInChI=1S/C14H18FN3O2.ClH/c1-14(2,7-16)18-13(20)10-6-12(19)17-11-5-8(15)3-4-9(10)11;/h3-5,10H,6-7,16H2,1-2H3,(H,17,19)(H,18,20);1H
InChIKeyCRJBDMYANJYWGL-UHFFFAOYSA-N
XLogP1.53
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.78
LogP ≤ 51.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride with MolForge

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Related Compounds

(4S)-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 137526050
3-(3-Methylamino-propyl)-1-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 9817610
N-Hydroxy-2-(2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl)-acetamide
CID 11264473
N-Hydroxy-2-[1-(3-methyl-butyl)-2-oxo-1,2,3,4-tetrahydro-quinolin-3-yl]-acetamide
CID 11312326
6-Fluoro-3-(3-methylamino-propyl)-1-p-tolyl-3,4-dihydro-1H-quinolin-2-one
CID 11702602
n-{1-[3-(5-Fluoro-2-oxo-3,4-dihydro-2h-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 44207904
1-(3-Fluoro-phenyl)-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404175
3-(2-Methylamino-ethyl)-1-phenyl-3,4-dihydro-1H-quinolin-2-one
CID 44404182
1-(4-Fluoro-phenyl)-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404255
1-(3,4-Difluoro-phenyl)-3-methyl-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404273
1-(3,5-Difluoro-phenyl)-3-methyl-3-(3-methylamino-propyl)-3,4-dihydro-1H-quinolin-2-one
CID 44404274
N-{1-[3-(7-Fluoro-2-oxo-3,4-dihydro-2H-quinolin-1-yl)-propyl]-piperidin-4-yl}-propionamide
CID 46930342

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (CID 119522411) is N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is CC(C)(CN)NC(=O)C1CC(=O)Nc2cc(F)ccc21.Cl.
What is the InChIKey of N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is CRJBDMYANJYWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FN3O2.ClH/c1-14(2,7-16)18-13(20)10-6-12(19)17-11-5-8(15)3-4-9(10)11;/h3-5,10H,6-7,16H2,1-2H3,(H,17,19)(H,18,20);1H.
What are the key properties of N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 315.78 g/mol, XLogP of 1.53, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119522411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).