(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one

C18H17F2N3O3 — CID 177274163

IUPAC(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(OC(F)F)nc1
InChIInChI=1S/C18H17F2N3O3/c1-2-5-14-16(24)22-12-6-3-4-7-13(12)23(14)17(25)11-8-9-15(21-10-11)26-18(19)20/h3-4,6-10,14,18H,2,5H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyWPNJCEYAWROSJO-AWEZNQCLSA-N
MW361.35 g/mol
LogP3.45
Rot. Bonds5

About (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one

(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one (PubChem CID 177274163) has the molecular formula C18H17F2N3O3 and a molecular weight of 361.35 g/mol. Its IUPAC name is (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
PubChem CID177274163
Molecular FormulaC18H17F2N3O3
Molecular Weight361.35 g/mol
Exact Mass361.12
IUPAC Name(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one
SMILESCCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(OC(F)F)nc1
InChIInChI=1S/C18H17F2N3O3/c1-2-5-14-16(24)22-12-6-3-4-7-13(12)23(14)17(25)11-8-9-15(21-10-11)26-18(19)20/h3-4,6-10,14,18H,2,5H2,1H3,(H,22,24)/t14-/m0/s1
InChIKeyWPNJCEYAWROSJO-AWEZNQCLSA-N
XLogP3.45
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.35
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

7-[[4-[6-(difluoromethoxy)-3-pyridinyl]piperazin-1-yl]methyl]-3-ethyl-1H-1,5-naphthyridin-2-one
CID 168284895
N-(4-methoxyphenyl)-1-(3-pyridinylcarbonyl)-3-piperidinamine
CID 24793000
N-{3-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-propyl}-nicotinamide
CID 9998277
N-{4-[4-(2-Methoxy-phenyl)-piperazin-1-yl]-butyl}-nicotinamide
CID 10067621
3-fluoro-4-methoxy-N-(6,8,8-trimethyl-5,7-dihydro-1,6-naphthyridin-3-yl)benzamide
CID 23508145
(6-(4-Fluorophenoxy)pyridin-3-yl)(4-isopropylpiperazin-1-yl)methanone
CID 24771017
(4-Isopropylpiperazin-1-yl)(6-phenoxypyridin-3-yl)methanone
CID 24771245
(4-Cyclopropylpiperazin-1-yl)(6-(4-fluorophenoxy)pyridin-3-yl)methanone
CID 24771417
1-(1-Nicotinoylpiperidin-4-yl)-3-(4-(trifluoromethoxy)phenyl)urea
CID 44464338
6-Butoxy-N-(2,4-difluorophenyl)nicotinamide
CID 58368196
6-methoxy-N-[(S)-[4-(trifluoromethyl)phenyl]-[3-(trifluoromethyl)pyridin-2-yl]methyl]pyridine-3-carboxamide
CID 71502545
N-[(1R)-1-[4-[3-(difluoromethyl)-2-methoxypyridin-4-yl]cyclohexyl]propyl]-6-methoxypyridine-3-carboxamide
CID 142471211

Frequently Asked Questions

What is the IUPAC name of (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one (CID 177274163) is (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one is CCC[C@H]1C(=O)Nc2ccccc2N1C(=O)c1ccc(OC(F)F)nc1.
What is the InChIKey of (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is WPNJCEYAWROSJO-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H17F2N3O3/c1-2-5-14-16(24)22-12-6-3-4-7-13(12)23(14)17(25)11-8-9-15(21-10-11)26-18(19)20/h3-4,6-10,14,18H,2,5H2,1H3,(H,22,24)/t14-/m0/s1.
What are the key properties of (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one?
(3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 361.35 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-4-[6-(difluoromethoxy)pyridine-3-carbonyl]-3-propyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 177274163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).