1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C19H17N3O3 — CID 118079787

IUPAC1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)c2cc3ccncc3o2)C[C@@H]1C
InChIInChI=1S/C19H17N3O3/c1-12-11-21(15-5-3-4-6-16(15)22(12)13(2)23)19(24)17-9-14-7-8-20-10-18(14)25-17/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyGKKAXIZQWPQZMR-LBPRGKRZSA-N
MW335.36 g/mol
LogP3.23
Rot. Bonds1

About 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 118079787) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID118079787
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)c2cc3ccncc3o2)C[C@@H]1C
InChIInChI=1S/C19H17N3O3/c1-12-11-21(15-5-3-4-6-16(15)22(12)13(2)23)19(24)17-9-14-7-8-20-10-18(14)25-17/h3-10,12H,11H2,1-2H3/t12-/m0/s1
InChIKeyGKKAXIZQWPQZMR-LBPRGKRZSA-N
XLogP3.23
TPSA66.65 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-methyl-4-(naphthalene-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123485876
1-[(2S)-4-(1,3-benzodioxole-5-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079482
1-[2-methyl-4-(1-methylindole-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123398242
1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079098
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(1,3-oxazol-2-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118078994
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-phenyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079690
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123709048
1-[(2S)-4-(furan-2-carbonyl)-2-methyl-6-(2-methyltriazol-4-yl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079754
1-[6-benzoyl-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146340626
1-[6-(5-aminopyrazin-2-yl)-4-(furan-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146341058
1-(4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl)-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 123308015
[3-methyl-4-[(2R,3S)-3-methyloxolane-2-carbonyl]-2,3-dihydroquinoxalin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 128706319

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 118079787) is 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccccc2N(C(=O)c2cc3ccncc3o2)C[C@@H]1C.
What is the InChIKey of 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is GKKAXIZQWPQZMR-LBPRGKRZSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-11-21(15-5-3-4-6-16(15)22(12)13(2)23)19(24)17-9-14-7-8-20-10-18(14)25-17/h3-10,12H,11H2,1-2H3/t12-/m0/s1.
What are the key properties of 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 335.36 g/mol, XLogP of 3.23, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-4-(furo[2,3-c]pyridine-2-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 118079787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).