3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one

C19H16N2O2 — CID 78802141

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)[nH]1)N1CCCc2ccccc21
InChIInChI=1S/C19H16N2O2/c22-18-15-9-3-1-7-14(15)12-16(20-18)19(23)21-11-5-8-13-6-2-4-10-17(13)21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,22)
InChIKeyTYJWLKLMXYEHFD-UHFFFAOYSA-N
MW304.35 g/mol
LogP3.12
Rot. Bonds1

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one (PubChem CID 78802141) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one
PubChem CID78802141
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one
SMILESO=C(c1cc2ccccc2c(=O)[nH]1)N1CCCc2ccccc21
InChIInChI=1S/C19H16N2O2/c22-18-15-9-3-1-7-14(15)12-16(20-18)19(23)21-11-5-8-13-6-2-4-10-17(13)21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,22)
InChIKeyTYJWLKLMXYEHFD-UHFFFAOYSA-N
XLogP3.12
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-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-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 110857132
3-(2-methyl-2,3-dihydroindole-1-carbonyl)-2H-isoquinolin-1-one
CID 78802140
3-[4-(cyclopentanecarbonyl)piperazine-1-carbonyl]-2H-isoquinolin-1-one
CID 36513690
2,3-dihydroindol-1-yl-(6-methyl-1H-indol-2-yl)methanone
CID 113207338
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1-propylpyrido[2,3-d]pyrimidine-2,4-dione
CID 47021191
1-(3,4-dihydro-2H-quinolin-1-yl)-2-naphthalen-1-ylethanone
CID 1226597
3-[2,6-dichloro-4-(3,4-dihydro-2H-quinoline-1-carbonyl)phenyl]-1H-quinazoline-2,4-dione
CID 23119927
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-(4-methylphenyl)-1H-pyrazol-3-one
CID 71926692
5-(3,4-dihydro-2H-quinoline-1-carbonyl)-2-methyl-1H-pyrimidin-6-one
CID 110857161
4-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl]-2H-phthalazin-1-one
CID 4794809
6-(3,4-dihydro-2H-quinoline-1-carbonyl)pyridine-2-carboxylic acid
CID 43558372
3,4-dihydro-2H-quinolin-1-yl-(2,3-dimethyl-1H-indol-5-yl)methanone
CID 9463883

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one (CID 78802141) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one is O=C(c1cc2ccccc2c(=O)[nH]1)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one?
The InChIKey is TYJWLKLMXYEHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-15-9-3-1-7-14(15)12-16(20-18)19(23)21-11-5-8-13-6-2-4-10-17(13)21/h1-4,6-7,9-10,12H,5,8,11H2,(H,20,22).
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one has a molecular weight of 304.35 g/mol, XLogP of 3.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-2H-isoquinolin-1-one is sourced from PubChem (CID 78802141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).