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

C12H7ClN2O — CID 58167982

IUPAC2-chloro-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2ncc(Cl)cc2c2ccccc12
InChIInChI=1S/C12H7ClN2O/c13-7-5-10-8-3-1-2-4-9(8)12(16)15-11(10)14-6-7/h1-6H,(H,14,15,16)
InChIKeyOQZNLRBBOBBEAJ-UHFFFAOYSA-N
MW230.65 g/mol
LogP2.73
Rot. Bonds

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

2-chloro-5H-benzo[c][1,8]naphthyridin-6-one (PubChem CID 58167982) has the molecular formula C12H7ClN2O and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one.

Molecular Properties

Compound Name2-chloro-5H-benzo[c][1,8]naphthyridin-6-one
PubChem CID58167982
Molecular FormulaC12H7ClN2O
Molecular Weight230.65 g/mol
Exact Mass230.02
IUPAC Name2-chloro-5H-benzo[c][1,8]naphthyridin-6-one
SMILESO=c1[nH]c2ncc(Cl)cc2c2ccccc12
InChIInChI=1S/C12H7ClN2O/c13-7-5-10-8-3-1-2-4-9(8)12(16)15-11(10)14-6-7/h1-6H,(H,14,15,16)
InChIKeyOQZNLRBBOBBEAJ-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 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one?
The IUPAC name of 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one (CID 58167982) is 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one.
What is the SMILES notation for 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one?
The canonical SMILES for 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one is O=c1[nH]c2ncc(Cl)cc2c2ccccc12.
What is the InChIKey of 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one?
The InChIKey is OQZNLRBBOBBEAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O/c13-7-5-10-8-3-1-2-4-9(8)12(16)15-11(10)14-6-7/h1-6H,(H,14,15,16).
What are the key properties of 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one?
2-chloro-5H-benzo[c][1,8]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 2-chloro-5H-benzo[c][1,8]naphthyridin-6-one is sourced from PubChem (CID 58167982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).