6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one

C22H22N2O — CID 53248877

IUPAC6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1ccccc1C#Cc1ccc2c(n1)CCN(C1CCCC1)C2=O
InChIInChI=1S/C22H22N2O/c1-16-6-2-3-7-17(16)10-11-18-12-13-20-21(23-18)14-15-24(22(20)25)19-8-4-5-9-19/h2-3,6-7,12-13,19H,4-5,8-9,14-15H2,1H3
InChIKeyJJBICBPVIBACLZ-UHFFFAOYSA-N
MW330.43 g/mol
LogP3.73
Rot. Bonds1

About 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one

6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one (PubChem CID 53248877) has the molecular formula C22H22N2O and a molecular weight of 330.43 g/mol. Its IUPAC name is 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one.

Molecular Properties

Compound Name6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
PubChem CID53248877
Molecular FormulaC22H22N2O
Molecular Weight330.43 g/mol
Exact Mass330.17
IUPAC Name6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one
SMILESCc1ccccc1C#Cc1ccc2c(n1)CCN(C1CCCC1)C2=O
InChIInChI=1S/C22H22N2O/c1-16-6-2-3-7-17(16)10-11-18-12-13-20-21(23-18)14-15-24(22(20)25)19-8-4-5-9-19/h2-3,6-7,12-13,19H,4-5,8-9,14-15H2,1H3
InChIKeyJJBICBPVIBACLZ-UHFFFAOYSA-N
XLogP3.73
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The IUPAC name of 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one (CID 53248877) is 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one.
What is the SMILES notation for 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The canonical SMILES for 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one is Cc1ccccc1C#Cc1ccc2c(n1)CCN(C1CCCC1)C2=O.
What is the InChIKey of 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
The InChIKey is JJBICBPVIBACLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O/c1-16-6-2-3-7-17(16)10-11-18-12-13-20-21(23-18)14-15-24(22(20)25)19-8-4-5-9-19/h2-3,6-7,12-13,19H,4-5,8-9,14-15H2,1H3.
What are the key properties of 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one?
6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one has a molecular weight of 330.43 g/mol, XLogP of 3.73, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopentyl-2-[2-(2-methylphenyl)ethynyl]-7,8-dihydro-1,6-naphthyridin-5-one is sourced from PubChem (CID 53248877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).