2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one

C13H9ClN2O — CID 71111092

IUPAC2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one
SMILESCc1ccc2c(c1)c(=O)[nH]c1ncc(Cl)cc12
InChIInChI=1S/C13H9ClN2O/c1-7-2-3-9-10-5-8(14)6-15-12(10)16-13(17)11(9)4-7/h2-6H,1H3,(H,15,16,17)
InChIKeyZGMJDJZDYLHOKW-UHFFFAOYSA-N
MW244.68 g/mol
LogP3.04
Rot. Bonds

About 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one

2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 71111092) has the molecular formula C13H9ClN2O and a molecular weight of 244.68 g/mol. Its IUPAC name is 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID71111092
Molecular FormulaC13H9ClN2O
Molecular Weight244.68 g/mol
Exact Mass244.04
IUPAC Name2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one
SMILESCc1ccc2c(c1)c(=O)[nH]c1ncc(Cl)cc12
InChIInChI=1S/C13H9ClN2O/c1-7-2-3-9-10-5-8(14)6-15-12(10)16-13(17)11(9)4-7/h2-6H,1H3,(H,15,16,17)
InChIKeyZGMJDJZDYLHOKW-UHFFFAOYSA-N
XLogP3.04
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.68
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one (CID 71111092) is 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one is Cc1ccc2c(c1)c(=O)[nH]c1ncc(Cl)cc12.
What is the InChIKey of 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is ZGMJDJZDYLHOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClN2O/c1-7-2-3-9-10-5-8(14)6-15-12(10)16-13(17)11(9)4-7/h2-6H,1H3,(H,15,16,17).
What are the key properties of 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one?
2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one has a molecular weight of 244.68 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-8-methyl-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 71111092), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).