(3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one

C23H17N3O3 — CID 96521461

IUPAC(3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H17N3O3/c1-14-22(27)25-18-9-4-5-10-20(18)26(14)23(28)16-13-19(21-11-6-12-29-21)24-17-8-3-2-7-15(16)17/h2-14H,1H3,(H,25,27)/t14-/m1/s1
InChIKeyKBBYNXIKPAHHEA-CQSZACIVSA-N
MW383.41 g/mol
LogP4.48
Rot. Bonds2

About (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one

(3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one (PubChem CID 96521461) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one.

Molecular Properties

Compound Name(3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one
PubChem CID96521461
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name(3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one
SMILESC[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cc(-c2ccco2)nc2ccccc12
InChIInChI=1S/C23H17N3O3/c1-14-22(27)25-18-9-4-5-10-20(18)26(14)23(28)16-13-19(21-11-6-12-29-21)24-17-8-3-2-7-15(16)17/h2-14H,1H3,(H,25,27)/t14-/m1/s1
InChIKeyKBBYNXIKPAHHEA-CQSZACIVSA-N
XLogP4.48
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one with MolForge

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Related Compounds

methyl 2-[1-[2-(furan-2-yl)quinoline-4-carbonyl]-3-oxopiperazin-2-yl]acetate
CID 4878165
1-[2-(furan-2-yl)quinoline-4-carbonyl]-5-methylpiperidine-3-carboxylic acid
CID 122117964
(4-aminopiperidin-1-yl)-[2-(furan-2-yl)quinolin-4-yl]methanone;dihydrochloride
CID 119375996
1-[4-[2-(furan-2-yl)quinoline-4-carbonyl]piperazin-1-yl]-2-methyl-2-phenylpropan-1-one
CID 55596344
[1-[2-(furan-2-yl)quinoline-4-carbonyl]piperidin-4-yl]-phenylmethanone
CID 41308568
N-tert-butyl-2-(furan-2-yl)quinoline-4-carboxamide
CID 3611196
[(2S)-1-amino-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395384
2-(furan-2-yl)-N-methyl-N-(1-methylpiperidin-4-yl)quinoline-4-carboxamide
CID 2390768
[2-(furan-2-yl)quinolin-4-yl]-(1,4-thiazepan-4-yl)methanone
CID 86992364
[2-(1-aminoethyl)piperidin-1-yl]-[2-(furan-2-yl)quinolin-4-yl]methanone
CID 119436975
N-(3,5-dimethoxyphenyl)-2-(furan-2-yl)quinoline-4-carboxamide
CID 9096906
[(2R)-1-(4-methylpiperidin-1-yl)-1-oxopropan-2-yl] 2-(furan-2-yl)quinoline-4-carboxylate
CID 7395388

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The IUPAC name of (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one (CID 96521461) is (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one.
What is the SMILES notation for (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The canonical SMILES for (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one is C[C@@H]1C(=O)Nc2ccccc2N1C(=O)c1cc(-c2ccco2)nc2ccccc12.
What is the InChIKey of (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
The InChIKey is KBBYNXIKPAHHEA-CQSZACIVSA-N. The full InChI is InChI=1S/C23H17N3O3/c1-14-22(27)25-18-9-4-5-10-20(18)26(14)23(28)16-13-19(21-11-6-12-29-21)24-17-8-3-2-7-15(16)17/h2-14H,1H3,(H,25,27)/t14-/m1/s1.
What are the key properties of (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one?
(3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one has a molecular weight of 383.41 g/mol, XLogP of 4.48, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[2-(furan-2-yl)quinoline-4-carbonyl]-3-methyl-1,3-dihydroquinoxalin-2-one is sourced from PubChem (CID 96521461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).