4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one

C19H16N2O2 — CID 2481641

IUPAC4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCc2ccccc2C1
InChIInChI=1S/C19H16N2O2/c22-18-11-16(15-7-3-4-8-17(15)20-18)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H,20,22)
InChIKeyKGWYGCXSNITOFT-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.73
Rot. Bonds1

About 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one

4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one (PubChem CID 2481641) has the molecular formula C19H16N2O2 and a molecular weight of 304.35 g/mol. Its IUPAC name is 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one.

Molecular Properties

Compound Name4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one
PubChem CID2481641
Molecular FormulaC19H16N2O2
Molecular Weight304.35 g/mol
Exact Mass304.12
IUPAC Name4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one
SMILESO=C(c1cc(=O)[nH]c2ccccc12)N1CCc2ccccc2C1
InChIInChI=1S/C19H16N2O2/c22-18-11-16(15-7-3-4-8-17(15)20-18)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H,20,22)
InChIKeyKGWYGCXSNITOFT-UHFFFAOYSA-N
XLogP2.73
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 ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one?
The IUPAC name of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one (CID 2481641) is 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one.
What is the SMILES notation for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one?
The canonical SMILES for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one is O=C(c1cc(=O)[nH]c2ccccc12)N1CCc2ccccc2C1.
What is the InChIKey of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one?
The InChIKey is KGWYGCXSNITOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2/c22-18-11-16(15-7-3-4-8-17(15)20-18)19(23)21-10-9-13-5-1-2-6-14(13)12-21/h1-8,11H,9-10,12H2,(H,20,22).
What are the key properties of 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one?
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one has a molecular weight of 304.35 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-1H-quinolin-2-one is sourced from PubChem (CID 2481641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).