ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate

C25H27N3O3 — CID 58656548

IUPACethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc3ccccc3n2)CC1CC
InChIInChI=1S/C25H27N3O3/c1-5-19-15-27(24(29)21-12-11-18-9-7-8-10-20(18)26-21)22-13-16(3)17(4)14-23(22)28(19)25(30)31-6-2/h7-14,19H,5-6,15H2,1-4H3
InChIKeyWRFUARYYANQSDP-UHFFFAOYSA-N
MW417.51 g/mol
LogP5.25
Rot. Bonds3

About ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate

ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate (PubChem CID 58656548) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
PubChem CID58656548
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Nameethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
SMILESCCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc3ccccc3n2)CC1CC
InChIInChI=1S/C25H27N3O3/c1-5-19-15-27(24(29)21-12-11-18-9-7-8-10-20(18)26-21)22-13-16(3)17(4)14-23(22)28(19)25(30)31-6-2/h7-14,19H,5-6,15H2,1-4H3
InChIKeyWRFUARYYANQSDP-UHFFFAOYSA-N
XLogP5.25
TPSA62.74 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate 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

ethyl 4-(4-acetylbenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656887
ethyl 4-(3-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656564
ethyl 4-(7-ethoxy-1-benzofuran-2-carbonyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656612
ethyl 2-ethyl-6,7-dimethyl-4-(3-phenyl-1H-indole-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate
CID 58656578
ethyl 4-(2-bromo-5-chlorobenzoyl)-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 58656557
ethyl 4-[3-(1,1-difluoroethyl)-5-(trifluoromethyl)benzoyl]-2-ethyl-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 142945267
ethyl 4-(2-bromo-5-methylbenzoyl)-2-(hydroxymethyl)-6,7-dimethyl-2,3-dihydroquinoxaline-1-carboxylate
CID 142945309
[(3R,5R)-3,5-dimethylpiperidin-1-yl]-quinolin-2-ylmethanone
CID 40744893
4-benzyl-3-ethyl-1-(quinoline-2-carbonyl)-1,4-diazepan-5-one
CID 56877971
1-quinolin-2-ylbutan-1-one
CID 14895778
[(2S)-2-[(2S)-1-ethylpyrrolidin-2-yl]pyrrolidin-1-yl]-quinolin-2-ylmethanone
CID 95319800
[(3S)-3-ethoxy-1-oxa-8-azaspiro[4.5]decan-8-yl]-quinolin-2-ylmethanone
CID 97418796

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The IUPAC name of ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate (CID 58656548) is ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The canonical SMILES for ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate is CCOC(=O)N1c2cc(C)c(C)cc2N(C(=O)c2ccc3ccccc3n2)CC1CC.
What is the InChIKey of ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
The InChIKey is WRFUARYYANQSDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-5-19-15-27(24(29)21-12-11-18-9-7-8-10-20(18)26-21)22-13-16(3)17(4)14-23(22)28(19)25(30)31-6-2/h7-14,19H,5-6,15H2,1-4H3.
What are the key properties of ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate?
ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate has a molecular weight of 417.51 g/mol, XLogP of 5.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-6,7-dimethyl-4-(quinoline-2-carbonyl)-2,3-dihydroquinoxaline-1-carboxylate is sourced from PubChem (CID 58656548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).