1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one

C21H30N2O2 — CID 55763771

IUPAC1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C21H30N2O2/c1-16(2)17-10-11-19-18(14-17)8-7-13-23(19)21(25)15-22-12-6-4-3-5-9-20(22)24/h10-11,14,16H,3-9,12-13,15H2,1-2H3
InChIKeyNALXQIHRIHRBIJ-UHFFFAOYSA-N
MW342.48 g/mol
LogP3.88
Rot. Bonds3

About 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one

1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one (PubChem CID 55763771) has the molecular formula C21H30N2O2 and a molecular weight of 342.48 g/mol. Its IUPAC name is 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one.

Molecular Properties

Compound Name1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
PubChem CID55763771
Molecular FormulaC21H30N2O2
Molecular Weight342.48 g/mol
Exact Mass342.23
IUPAC Name1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)CN1CCCCCCC1=O
InChIInChI=1S/C21H30N2O2/c1-16(2)17-10-11-19-18(14-17)8-7-13-23(19)21(25)15-22-12-6-4-3-5-9-20(22)24/h10-11,14,16H,3-9,12-13,15H2,1-2H3
InChIKeyNALXQIHRIHRBIJ-UHFFFAOYSA-N
XLogP3.88
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.48
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one 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

2-(1,1-dioxo-1,2-thiazolidin-2-yl)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 87001063
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)pentan-1-one
CID 120560186
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-phenylpyridazin-3-one
CID 55873032
2-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]phthalazin-1-one
CID 55674060
4-amino-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one;hydrochloride
CID 119286836
2-(cyclopropylmethylamino)-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 119718812
1-[2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)acetyl]piperidine-4-carboxamide
CID 78870942
2-[3-oxo-3-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)propyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione
CID 55674160
1-[2-[2-(3-methylbutanoyl)-2,11-diazabicyclo[11.4.0]heptadeca-1(17),13,15-trien-11-yl]-2-oxoethyl]pyrrolidin-2-one
CID 133067744
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
CID 87025069
4-imidazol-1-yl-1-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)butan-1-one
CID 47080367
1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-3-phenylbutan-1-one
CID 112762073

Frequently Asked Questions

What is the IUPAC name of 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one?
The IUPAC name of 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one (CID 55763771) is 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one.
What is the SMILES notation for 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one?
The canonical SMILES for 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one is CC(C)c1ccc2c(c1)CCCN2C(=O)CN1CCCCCCC1=O.
What is the InChIKey of 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one?
The InChIKey is NALXQIHRIHRBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N2O2/c1-16(2)17-10-11-19-18(14-17)8-7-13-23(19)21(25)15-22-12-6-4-3-5-9-20(22)24/h10-11,14,16H,3-9,12-13,15H2,1-2H3.
What are the key properties of 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one?
1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one has a molecular weight of 342.48 g/mol, XLogP of 3.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-oxo-2-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)ethyl]azocan-2-one is sourced from PubChem (CID 55763771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).