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

C14H17ClFN3O2 — CID 119450828

IUPAC7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.O=C1CC(C(=O)NC2CCNC2)c2ccc(F)cc2N1
InChIInChI=1S/C14H16FN3O2.ClH/c15-8-1-2-10-11(6-13(19)18-12(10)5-8)14(20)17-9-3-4-16-7-9;/h1-2,5,9,11,16H,3-4,6-7H2,(H,17,20)(H,18,19);1H
InChIKeyQOIDNMHZBZNOKV-UHFFFAOYSA-N
MW313.76 g/mol
LogP1.15
Rot. Bonds2

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

7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (PubChem CID 119450828) has the molecular formula C14H17ClFN3O2 and a molecular weight of 313.76 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
PubChem CID119450828
Molecular FormulaC14H17ClFN3O2
Molecular Weight313.76 g/mol
Exact Mass313.10
IUPAC Name7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
SMILESCl.O=C1CC(C(=O)NC2CCNC2)c2ccc(F)cc2N1
InChIInChI=1S/C14H16FN3O2.ClH/c15-8-1-2-10-11(6-13(19)18-12(10)5-8)14(20)17-9-3-4-16-7-9;/h1-2,5,9,11,16H,3-4,6-7H2,(H,17,20)(H,18,19);1H
InChIKeyQOIDNMHZBZNOKV-UHFFFAOYSA-N
XLogP1.15
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.76
LogP ≤ 51.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136489
N-(4-aminocyclohexyl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119475717
7-fluoro-N-(4-hydroxycyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110883093
2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119453472
(4R)-7-fluoro-N-(4-methylcyclohexyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51484758
N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18163943
N-(2,3-dihydro-1H-inden-1-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18143184
N-[1-(2-anilino-2-oxoethyl)piperidin-4-yl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16613524
7-fluoro-2-oxo-N-propyl-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119530758
N-(1-amino-2-methylpropan-2-yl)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 119522411
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 120650314
1-[[(4S)-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl]amino]cyclopentane-1-carboxylic acid
CID 97311297

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The IUPAC name of 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride (CID 119450828) is 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is Cl.O=C1CC(C(=O)NC2CCNC2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
The InChIKey is QOIDNMHZBZNOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FN3O2.ClH/c15-8-1-2-10-11(6-13(19)18-12(10)5-8)14(20)17-9-3-4-16-7-9;/h1-2,5,9,11,16H,3-4,6-7H2,(H,17,20)(H,18,19);1H.
What are the key properties of 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride?
7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride has a molecular weight of 313.76 g/mol, XLogP of 1.15, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-pyrrolidin-3-yl-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 119450828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).