7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

C17H23ClFN3O2 — CID 119530758

IUPAC7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CC(=O)Nc2cc(F)ccc21)C1CCNC1.Cl
InChIInChI=1S/C17H22FN3O2.ClH/c1-2-7-21(12-5-6-19-10-12)17(23)14-9-16(22)20-15-8-11(18)3-4-13(14)15;/h3-4,8,12,14,19H,2,5-7,9-10H2,1H3,(H,20,22);1H
InChIKeyDYHRMBCMGRQBRL-UHFFFAOYSA-N
MW355.84 g/mol
LogP2.27
Rot. Bonds4

About 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride

7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119530758) has the molecular formula C17H23ClFN3O2 and a molecular weight of 355.84 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119530758
Molecular FormulaC17H23ClFN3O2
Molecular Weight355.84 g/mol
Exact Mass355.15
IUPAC Name7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCCCN(C(=O)C1CC(=O)Nc2cc(F)ccc21)C1CCNC1.Cl
InChIInChI=1S/C17H22FN3O2.ClH/c1-2-7-21(12-5-6-19-10-12)17(23)14-9-16(22)20-15-8-11(18)3-4-13(14)15;/h3-4,8,12,14,19H,2,5-7,9-10H2,1H3,(H,20,22);1H
InChIKeyDYHRMBCMGRQBRL-UHFFFAOYSA-N
XLogP2.27
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.84
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride with MolForge

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Related Compounds

2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119532564
N-methyl-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119553909
7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119450828
N-ethyl-7-fluoro-N-(4-fluorophenyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 24657368
3-(2,5-difluorophenyl)-N-propyl-N-pyrrolidin-3-ylpropanamide;hydrochloride
CID 119532213
N-cyclopropyl-7-fluoro-2-oxo-N-[[4-(trifluoromethyl)phenyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 46588673
(2R)-5-oxo-N-propyl-N-pyrrolidin-3-ylpyrrolidine-2-carboxamide;hydrochloride
CID 119530472
2-(2-chloro-4-fluorophenoxy)-N-propyl-N-pyrrolidin-3-ylacetamide;hydrochloride
CID 119529852
4-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]-4-methylpentanoic acid
CID 119203639
2-[benzyl-[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]acetic acid
CID 125149786
methyl 2-[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)-propan-2-ylamino]acetate
CID 78884778
2-(3-fluorophenyl)-N-[2-oxo-2-[propyl(pyrrolidin-3-yl)amino]ethyl]acetamide;hydrochloride
CID 119531294

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (CID 119530758) is 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is CCCN(C(=O)C1CC(=O)Nc2cc(F)ccc21)C1CCNC1.Cl.
What is the InChIKey of 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is DYHRMBCMGRQBRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN3O2.ClH/c1-2-7-21(12-5-6-19-10-12)17(23)14-9-16(22)20-15-8-11(18)3-4-13(14)15;/h3-4,8,12,14,19H,2,5-7,9-10H2,1H3,(H,20,22);1H.
What are the key properties of 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 355.84 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119530758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).