(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

C17H22FN3O3 — CID 37252141

IUPAC(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCOCC1
InChIInChI=1S/C17H22FN3O3/c1-11(21-4-6-24-7-5-21)10-19-17(23)14-9-16(22)20-15-8-12(18)2-3-13(14)15/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,19,23)(H,20,22)/t11-,14-/m1/s1
InChIKeyPWHASRNTOXMNQD-BXUZGUMPSA-N
MW335.38 g/mol
LogP1.09
Rot. Bonds4

About (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide

(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 37252141) has the molecular formula C17H22FN3O3 and a molecular weight of 335.38 g/mol. Its IUPAC name is (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID37252141
Molecular FormulaC17H22FN3O3
Molecular Weight335.38 g/mol
Exact Mass335.16
IUPAC Name(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESC[C@H](CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCOCC1
InChIInChI=1S/C17H22FN3O3/c1-11(21-4-6-24-7-5-21)10-19-17(23)14-9-16(22)20-15-8-12(18)2-3-13(14)15/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,19,23)(H,20,22)/t11-,14-/m1/s1
InChIKeyPWHASRNTOXMNQD-BXUZGUMPSA-N
XLogP1.09
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4S)-7-fluoro-N-[(2S)-2-methyl-3-pyrrolidin-1-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94158194
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 120650315
(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31615064
N-[2-(4-fluorophenyl)-2-morpholin-4-ylethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 55512306
N-[(2R)-2-(ethylamino)propyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide;hydrochloride
CID 120650314
7-fluoro-N-[2-(4-fluorophenyl)-2-hydroxyethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 110888737
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
2-[[(7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carbonyl)amino]methyl]-4-methylpentanoic acid
CID 119252685
7-fluoro-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16597442
N-(4-methyl-2-morpholin-4-ylpentyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 134027214
7-fluoro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 16599735
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 167907158

Frequently Asked Questions

What is the IUPAC name of (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide (CID 37252141) is (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is C[C@H](CNC(=O)[C@@H]1CC(=O)Nc2cc(F)ccc21)N1CCOCC1.
What is the InChIKey of (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is PWHASRNTOXMNQD-BXUZGUMPSA-N. The full InChI is InChI=1S/C17H22FN3O3/c1-11(21-4-6-24-7-5-21)10-19-17(23)14-9-16(22)20-15-8-12(18)2-3-13(14)15/h2-3,8,11,14H,4-7,9-10H2,1H3,(H,19,23)(H,20,22)/t11-,14-/m1/s1.
What are the key properties of (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide?
(4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 335.38 g/mol, XLogP of 1.09, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-7-fluoro-N-[(2R)-2-morpholin-4-ylpropyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 37252141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).