8-chloro-5H-benzo[c][1,7]naphthyridin-6-one

C12H7ClN2O — CID 134324107

IUPAC8-chloro-5H-benzo[c][1,7]naphthyridin-6-one
SMILESO=c1[nH]c2cnccc2c2ccc(Cl)cc12
InChIInChI=1S/C12H7ClN2O/c13-7-1-2-8-9-3-4-14-6-11(9)15-12(16)10(8)5-7/h1-6H,(H,15,16)
InChIKeyJSVNHPXDPOJWQH-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.73
Rot. Bonds

About 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one

8-chloro-5H-benzo[c][1,7]naphthyridin-6-one (PubChem CID 134324107) has the molecular formula C12H7ClN2O and a molecular weight of 230.65 g/mol. Its IUPAC name is 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one.

Molecular Properties

Compound Name8-chloro-5H-benzo[c][1,7]naphthyridin-6-one
PubChem CID134324107
Molecular FormulaC12H7ClN2O
Molecular Weight230.65 g/mol
Exact Mass230.02
IUPAC Name8-chloro-5H-benzo[c][1,7]naphthyridin-6-one
SMILESO=c1[nH]c2cnccc2c2ccc(Cl)cc12
InChIInChI=1S/C12H7ClN2O/c13-7-1-2-8-9-3-4-14-6-11(9)15-12(16)10(8)5-7/h1-6H,(H,15,16)
InChIKeyJSVNHPXDPOJWQH-UHFFFAOYSA-N
XLogP2.73
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 52.73
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 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one?
The IUPAC name of 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one (CID 134324107) is 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one.
What is the SMILES notation for 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one?
The canonical SMILES for 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one is O=c1[nH]c2cnccc2c2ccc(Cl)cc12.
What is the InChIKey of 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one?
The InChIKey is JSVNHPXDPOJWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O/c13-7-1-2-8-9-3-4-14-6-11(9)15-12(16)10(8)5-7/h1-6H,(H,15,16).
What are the key properties of 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one?
8-chloro-5H-benzo[c][1,7]naphthyridin-6-one has a molecular weight of 230.65 g/mol, XLogP of 2.73, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-5H-benzo[c][1,7]naphthyridin-6-one is sourced from PubChem (CID 134324107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).