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

C19H15NO3 — CID 583516

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one
SMILESO=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
InChIInChI=1S/C19H15NO3/c21-18(20-11-5-8-13-6-2-4-10-16(13)20)17-12-14-7-1-3-9-15(14)19(22)23-17/h1-4,6-7,9-10,12H,5,8,11H2
InChIKeyVGFZYPWFYITNPD-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.39
Rot. Bonds1

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

3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one (PubChem CID 583516) has the molecular formula C19H15NO3 and a molecular weight of 305.33 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one
PubChem CID583516
Molecular FormulaC19H15NO3
Molecular Weight305.33 g/mol
Exact Mass305.11
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one
SMILESO=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21
InChIInChI=1S/C19H15NO3/c21-18(20-11-5-8-13-6-2-4-10-16(13)20)17-12-14-7-1-3-9-15(14)19(22)23-17/h1-4,6-7,9-10,12H,5,8,11H2
InChIKeyVGFZYPWFYITNPD-UHFFFAOYSA-N
XLogP3.39
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-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

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one (CID 583516) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one is O=C(c1cc2ccccc2c(=O)o1)N1CCCc2ccccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one?
The InChIKey is VGFZYPWFYITNPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15NO3/c21-18(20-11-5-8-13-6-2-4-10-16(13)20)17-12-14-7-1-3-9-15(14)19(22)23-17/h1-4,6-7,9-10,12H,5,8,11H2.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one has a molecular weight of 305.33 g/mol, XLogP of 3.39, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)isochromen-1-one is sourced from PubChem (CID 583516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).