(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

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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).