7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

C18H14FN5O3 — CID 78839164

IUPAC7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCc2nc(-c3ccncc3)no2)c2ccc(F)cc2N1
InChIInChI=1S/C18H14FN5O3/c19-11-1-2-12-13(8-15(25)22-14(12)7-11)18(26)21-9-16-23-17(24-27-16)10-3-5-20-6-4-10/h1-7,13H,8-9H2,(H,21,26)(H,22,25)
InChIKeyGKORIRJHPDWHDM-UHFFFAOYSA-N
MW367.34 g/mol
LogP2.01
Rot. Bonds4

About 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide

7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (PubChem CID 78839164) has the molecular formula C18H14FN5O3 and a molecular weight of 367.34 g/mol. Its IUPAC name is 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.

Molecular Properties

Compound Name7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
PubChem CID78839164
Molecular FormulaC18H14FN5O3
Molecular Weight367.34 g/mol
Exact Mass367.11
IUPAC Name7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
SMILESO=C1CC(C(=O)NCc2nc(-c3ccncc3)no2)c2ccc(F)cc2N1
InChIInChI=1S/C18H14FN5O3/c19-11-1-2-12-13(8-15(25)22-14(12)7-11)18(26)21-9-16-23-17(24-27-16)10-3-5-20-6-4-10/h1-7,13H,8-9H2,(H,21,26)(H,22,25)
InChIKeyGKORIRJHPDWHDM-UHFFFAOYSA-N
XLogP2.01
TPSA110.01 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide with MolForge

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Launch Full Analysis

Related Compounds

(4S)-7-fluoro-N-[(1R)-2-methyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)propyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 52500987
(4R)-7-fluoro-2-oxo-N-[[3-(trifluoromethyl)-1H-1,2,4-triazol-5-yl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 126436107
(4S)-7-fluoro-N-[[5-(2-methyl-1,3-thiazol-4-yl)furan-2-yl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 41406742
(4R)-7-fluoro-2-oxo-N-[[2-(1,2,4-triazol-1-yl)-3-pyridinyl]methyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 51949084
(4S)-7-fluoro-2-oxo-N-[2-(pyrimidin-2-ylamino)ethyl]-3,4-dihydro-1H-quinoline-4-carboxamide
CID 94023245
(4S)-N-[(1,5-dimethylpyrrol-2-yl)methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 29434450
N-[[2-(diethylaminomethyl)phenyl]methyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 42931734
7-fluoro-N-(3-methylbutyl)-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18136289
(4S)-6-fluoro-2-oxo-N-(2-pyridin-4-ylethyl)-3,4-dihydro-1H-quinoline-4-carboxamide
CID 97130921
(4R)-7-fluoro-N-[[4-(morpholin-4-ylmethyl)phenyl]methyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 31615064
N-[2-(cyclopropylamino)-2-oxoethyl]-7-fluoro-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 18163943
(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methylcarbamic acid
CID 69190964

Frequently Asked Questions

What is the IUPAC name of 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The IUPAC name of 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide (CID 78839164) is 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide.
What is the SMILES notation for 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The canonical SMILES for 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is O=C1CC(C(=O)NCc2nc(-c3ccncc3)no2)c2ccc(F)cc2N1.
What is the InChIKey of 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
The InChIKey is GKORIRJHPDWHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14FN5O3/c19-11-1-2-12-13(8-15(25)22-14(12)7-11)18(26)21-9-16-23-17(24-27-16)10-3-5-20-6-4-10/h1-7,13H,8-9H2,(H,21,26)(H,22,25).
What are the key properties of 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide?
7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide has a molecular weight of 367.34 g/mol, XLogP of 2.01, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-fluoro-2-oxo-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]-3,4-dihydro-1H-quinoline-4-carboxamide is sourced from PubChem (CID 78839164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).