9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one

C17H12Cl2N2O — CID 14423215

IUPAC9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
SMILESO=c1c2c(n(-c3cc(Cl)cc(Cl)c3)c3ncccc13)CCC2
InChIInChI=1S/C17H12Cl2N2O/c18-10-7-11(19)9-12(8-10)21-15-5-1-3-13(15)16(22)14-4-2-6-20-17(14)21/h2,4,6-9H,1,3,5H2
InChIKeyRRMKAFQHTMBCQM-UHFFFAOYSA-N
MW331.20 g/mol
LogP4.18
Rot. Bonds1

About 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one

9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one (PubChem CID 14423215) has the molecular formula C17H12Cl2N2O and a molecular weight of 331.20 g/mol. Its IUPAC name is 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one.

Molecular Properties

Compound Name9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
PubChem CID14423215
Molecular FormulaC17H12Cl2N2O
Molecular Weight331.20 g/mol
Exact Mass330.03
IUPAC Name9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one
SMILESO=c1c2c(n(-c3cc(Cl)cc(Cl)c3)c3ncccc13)CCC2
InChIInChI=1S/C17H12Cl2N2O/c18-10-7-11(19)9-12(8-10)21-15-5-1-3-13(15)16(22)14-4-2-6-20-17(14)21/h2,4,6-9H,1,3,5H2
InChIKeyRRMKAFQHTMBCQM-UHFFFAOYSA-N
XLogP4.18
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.20
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one?
The IUPAC name of 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one (CID 14423215) is 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one.
What is the SMILES notation for 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one?
The canonical SMILES for 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one is O=c1c2c(n(-c3cc(Cl)cc(Cl)c3)c3ncccc13)CCC2.
What is the InChIKey of 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one?
The InChIKey is RRMKAFQHTMBCQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O/c18-10-7-11(19)9-12(8-10)21-15-5-1-3-13(15)16(22)14-4-2-6-20-17(14)21/h2,4,6-9H,1,3,5H2.
What are the key properties of 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one?
9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one has a molecular weight of 331.20 g/mol, XLogP of 4.18, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(3,5-dichlorophenyl)-7,8-dihydro-6H-cyclopenta[b][1,8]naphthyridin-5-one is sourced from PubChem (CID 14423215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).