8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one

C14H11ClN2O — CID 134324140

IUPAC8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one
SMILESCc1cc2c(cc1Cl)c(=O)n(C)c1cnccc21
InChIInChI=1S/C14H11ClN2O/c1-8-5-10-9-3-4-16-7-13(9)17(2)14(18)11(10)6-12(8)15/h3-7H,1-2H3
InChIKeyUSNXGGPPYMKSAU-UHFFFAOYSA-N
MW258.71 g/mol
LogP3.05
Rot. Bonds

About 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one

8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one (PubChem CID 134324140) has the molecular formula C14H11ClN2O and a molecular weight of 258.71 g/mol. Its IUPAC name is 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one
PubChem CID134324140
Molecular FormulaC14H11ClN2O
Molecular Weight258.71 g/mol
Exact Mass258.06
IUPAC Name8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one
SMILESCc1cc2c(cc1Cl)c(=O)n(C)c1cnccc21
InChIInChI=1S/C14H11ClN2O/c1-8-5-10-9-3-4-16-7-13(9)17(2)14(18)11(10)6-12(8)15/h3-7H,1-2H3
InChIKeyUSNXGGPPYMKSAU-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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Related Compounds

3-chloro-N-(2-chloropyridin-3-yl)-4-methylbenzamide
CID 3146286
4-chloro-2-methyl-N-pyridin-3-ylbenzamide
CID 70845724
6-Chloro-2-pyridin-3-yl-3,4-dihydro-2H-isoquinolin-1-one
CID 86685957
2-[5-(4-Acetyl-piperazin-1-yl)-pyridin-3-yl]-5-chloro-3,3-dimethyl-2,3-dihydro-isoindol-1-one
CID 86686014
3-benzyl-5-chloro-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599882
5-chloro-3-methyl-2-pyridin-3-yl-3H-isoindol-1-one
CID 89599943
5-Chloro-3,3-dimethyl-2-pyridin-3-ylisoindol-1-one
CID 89600016
5-chloro-2-pyridin-3-yl-3H-isoindol-1-one
CID 89600056
6-Chloro-7-fluoro-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
CID 89600074
6-Chloro-3,4-dihydro-3-methyl-2-(3-pyridinyl)-1(2h)-isoquinolinone
CID 89600315
2-[5-(1-Acetylpiperidin-4-yl)-3-pyridinyl]-5-chloro-3,3-dimethylisoindol-1-one
CID 89600371
6-Chloro-4-methyl-2-pyridin-3-yl-3,4-dihydroisoquinolin-1-one
CID 89600466

Frequently Asked Questions

What is the IUPAC name of 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one (CID 134324140) is 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one is Cc1cc2c(cc1Cl)c(=O)n(C)c1cnccc21.
What is the InChIKey of 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one?
The InChIKey is USNXGGPPYMKSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2O/c1-8-5-10-9-3-4-16-7-13(9)17(2)14(18)11(10)6-12(8)15/h3-7H,1-2H3.
What are the key properties of 8-chloro-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one?
8-chloro-5,9-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-5,9-dimethylbenzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 134324140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).