1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

C29H37N3O2 — CID 123807393

IUPAC1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)C2CCN(C3CCCCCCC3)c3ccccc32)CC1C
InChIInChI=1S/C29H37N3O2/c1-21-20-31(27-16-10-11-17-28(27)32(21)22(2)33)29(34)25-18-19-30(26-15-9-8-14-24(25)26)23-12-6-4-3-5-7-13-23/h8-11,14-17,21,23,25H,3-7,12-13,18-20H2,1-2H3
InChIKeyHCUPQVKRWQMPKZ-UHFFFAOYSA-N
MW459.63 g/mol
LogP5.88
Rot. Bonds2

About 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone

1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (PubChem CID 123807393) has the molecular formula C29H37N3O2 and a molecular weight of 459.63 g/mol. Its IUPAC name is 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
PubChem CID123807393
Molecular FormulaC29H37N3O2
Molecular Weight459.63 g/mol
Exact Mass459.29
IUPAC Name1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
SMILESCC(=O)N1c2ccccc2N(C(=O)C2CCN(C3CCCCCCC3)c3ccccc32)CC1C
InChIInChI=1S/C29H37N3O2/c1-21-20-31(27-16-10-11-17-28(27)32(21)22(2)33)29(34)25-18-19-30(26-15-9-8-14-24(25)26)23-12-6-4-3-5-7-13-23/h8-11,14-17,21,23,25H,3-7,12-13,18-20H2,1-2H3
InChIKeyHCUPQVKRWQMPKZ-UHFFFAOYSA-N
XLogP5.88
TPSA43.86 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.63
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-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-[(2S)-4-(2-cyclooctyl-5-methyl-1,2-oxazolidine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 146226531
1-(5-acetyl-4-methyl-3,4-dihydro-2H-1,5-benzodiazepin-1-yl)ethanone
CID 23241545
[3-methyl-4-[(2R,3S)-3-methyloxolane-2-carbonyl]-2,3-dihydroquinoxalin-1-yl]-[(2S,3R)-3-methyloxolan-2-yl]methanone
CID 128706319
1-[4-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123709048
1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-2-(1-methylsulfonylpiperidin-4-yl)ethanone
CID 118080246
1-cyclobutyl-2,3-dihydroindole-3-carboxylic acid
CID 115115180
cyclopentyl-(3-methyl-2,3-dihydroindol-1-yl)methanone
CID 110751863
1-[(3S)-4-acetyl-3-methyl-2,3-dihydroquinoxalin-1-yl]-3-(dimethylamino)propan-1-one
CID 118079826
1-[2-methyl-4-(naphthalene-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 123485876
(4-cyclohexyl-2,3-dihydroquinoxalin-1-yl)-pyrrolidin-1-ylmethanone
CID 170439418
1-[(2S)-2-methyl-4-(5-propan-2-ylpyridine-2-carbonyl)-2,3-dihydroquinoxalin-1-yl]ethanone
CID 118079098
1-(2-cyclohexylcyclopropanecarbonyl)-2,3-dihydroindole-3-carboxylic acid
CID 120691143

Frequently Asked Questions

What is the IUPAC name of 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The IUPAC name of 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone (CID 123807393) is 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone.
What is the SMILES notation for 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The canonical SMILES for 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is CC(=O)N1c2ccccc2N(C(=O)C2CCN(C3CCCCCCC3)c3ccccc32)CC1C.
What is the InChIKey of 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
The InChIKey is HCUPQVKRWQMPKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H37N3O2/c1-21-20-31(27-16-10-11-17-28(27)32(21)22(2)33)29(34)25-18-19-30(26-15-9-8-14-24(25)26)23-12-6-4-3-5-7-13-23/h8-11,14-17,21,23,25H,3-7,12-13,18-20H2,1-2H3.
What are the key properties of 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone?
1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone has a molecular weight of 459.63 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1-cyclooctyl-3,4-dihydro-2H-quinoline-4-carbonyl)-2-methyl-2,3-dihydroquinoxalin-1-yl]ethanone is sourced from PubChem (CID 123807393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).