8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one

C14H11ClN2O — CID 134324128

IUPAC8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
SMILESCc1nccc2c3ccc(Cl)cc3c(=O)n(C)c12
InChIInChI=1S/C14H11ClN2O/c1-8-13-11(5-6-16-8)10-4-3-9(15)7-12(10)14(18)17(13)2/h3-7H,1-2H3
InChIKeyPRIMJWQVWAHLDG-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.05
Rot. Bonds

About 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one

8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one (PubChem CID 134324128) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
PubChem CID134324128
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one
SMILESCc1nccc2c3ccc(Cl)cc3c(=O)n(C)c12
InChIInChI=1S/C14H11ClN2O/c1-8-13-11(5-6-16-8)10-4-3-9(15)7-12(10)14(18)17(13)2/h3-7H,1-2H3
InChIKeyPRIMJWQVWAHLDG-UHFFFAOYSA-N
XLogP3.05
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.71
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one (CID 134324128) is 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one is Cc1nccc2c3ccc(Cl)cc3c(=O)n(C)c12.
What is the InChIKey of 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one?
The InChIKey is PRIMJWQVWAHLDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-13-11(5-6-16-8)10-4-3-9(15)7-12(10)14(18)17(13)2/h3-7H,1-2H3.
What are the key properties of 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one?
8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one has a molecular weight of 258.71 g/mol, XLogP of 3.05, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-4,5-dimethylbenzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 134324128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).