1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one

C22H24N2O2 — CID 75456510

IUPAC1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
SMILESCC1CCCN(C(=O)CN2C(=O)CCc3ccccc32)c2ccccc21
InChIInChI=1S/C22H24N2O2/c1-16-7-6-14-23(20-11-5-3-9-18(16)20)22(26)15-24-19-10-4-2-8-17(19)12-13-21(24)25/h2-5,8-11,16H,6-7,12-15H2,1H3
InChIKeyMHZFLSOVARECOP-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.90
Rot. Bonds2

About 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one

1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one (PubChem CID 75456510) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one.

Molecular Properties

Compound Name1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
PubChem CID75456510
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one
SMILESCC1CCCN(C(=O)CN2C(=O)CCc3ccccc32)c2ccccc21
InChIInChI=1S/C22H24N2O2/c1-16-7-6-14-23(20-11-5-3-9-18(16)20)22(26)15-24-19-10-4-2-8-17(19)12-13-21(24)25/h2-5,8-11,16H,6-7,12-15H2,1H3
InChIKeyMHZFLSOVARECOP-UHFFFAOYSA-N
XLogP3.90
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one with MolForge

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Related Compounds

(3S)-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 99639011
2-methoxy-1-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)ethanone
CID 75504724
3-[2-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 55677623
5-methyl-1-[2-(2-oxo-3,4-dihydroquinolin-1-yl)acetyl]piperidine-3-carboxylic acid
CID 122118273
1-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-6-[(2R)-2-methylpiperidin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
CID 93058972
1-[2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidin-1-yl]-2-oxoethyl]-3,4-dihydroquinolin-2-one
CID 72899750
N-cyclohexylsulfonyl-2-(2-oxo-3,4-dihydroquinolin-1-yl)acetamide
CID 136525098
1-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-4,5-dihydro-3H-1-benzazepin-2-one
CID 50758126
1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 71106683
1-[2-oxo-2-[3-(2H-tetrazol-5-yl)piperidin-1-yl]ethyl]-3,4-dihydroquinolin-2-one
CID 138995695
2-anilino-1-(4-methyl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119733412
2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-3a,4,7,7a-tetrahydroisoindole-1,3-dione
CID 17424794

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The IUPAC name of 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one (CID 75456510) is 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one.
What is the SMILES notation for 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The canonical SMILES for 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one is CC1CCCN(C(=O)CN2C(=O)CCc3ccccc32)c2ccccc21.
What is the InChIKey of 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one?
The InChIKey is MHZFLSOVARECOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-16-7-6-14-23(20-11-5-3-9-18(16)20)22(26)15-24-19-10-4-2-8-17(19)12-13-21(24)25/h2-5,8-11,16H,6-7,12-15H2,1H3.
What are the key properties of 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one?
1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one has a molecular weight of 348.45 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-methyl-2,3,4,5-tetrahydro-1-benzazepin-1-yl)-2-oxoethyl]-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 75456510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).