9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine

C14H11ClN2 — CID 53242883

IUPAC9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine
SMILESCc1cc2cnc3ccc(Cl)cc3c2nc1C
InChIInChI=1S/C14H11ClN2/c1-8-5-10-7-16-13-4-3-11(15)6-12(13)14(10)17-9(8)2/h3-7H,1-2H3
InChIKeyIZGZTTXNFKZFIL-UHFFFAOYSA-N
MW242.71 g/mol
LogP4.05
Rot. Bonds

About 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine

9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine (PubChem CID 53242883) has the molecular formula C14H11ClN2 and a molecular weight of 242.71 g/mol. Its IUPAC name is 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine.

Molecular Properties

Compound Name9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine
PubChem CID53242883
Molecular FormulaC14H11ClN2
Molecular Weight242.71 g/mol
Exact Mass242.06
IUPAC Name9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine
SMILESCc1cc2cnc3ccc(Cl)cc3c2nc1C
InChIInChI=1S/C14H11ClN2/c1-8-5-10-7-16-13-4-3-11(15)6-12(13)14(10)17-9(8)2/h3-7H,1-2H3
InChIKeyIZGZTTXNFKZFIL-UHFFFAOYSA-N
XLogP4.05
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 54.05
H-Bond Donors ≤ 50
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 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine?
The IUPAC name of 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine (CID 53242883) is 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine.
What is the SMILES notation for 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine?
The canonical SMILES for 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine is Cc1cc2cnc3ccc(Cl)cc3c2nc1C.
What is the InChIKey of 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine?
The InChIKey is IZGZTTXNFKZFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClN2/c1-8-5-10-7-16-13-4-3-11(15)6-12(13)14(10)17-9(8)2/h3-7H,1-2H3.
What are the key properties of 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine?
9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine has a molecular weight of 242.71 g/mol, XLogP of 4.05, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-2,3-dimethylbenzo[h][1,6]naphthyridine is sourced from PubChem (CID 53242883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).