2-methylbenzo[b][1,8]naphthyridine

C13H10N2 — CID 118895198

IUPAC2-methylbenzo[b][1,8]naphthyridine
SMILESCc1ccc2cc3ccccc3nc2n1
InChIInChI=1S/C13H10N2/c1-9-6-7-11-8-10-4-2-3-5-12(10)15-13(11)14-9/h2-8H,1H3
InChIKeyQKLRCXLZBLTDSH-UHFFFAOYSA-N
MW194.24 g/mol
LogP3.09
Rot. Bonds

About 2-methylbenzo[b][1,8]naphthyridine

2-methylbenzo[b][1,8]naphthyridine (PubChem CID 118895198) has the molecular formula C13H10N2 and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-methylbenzo[b][1,8]naphthyridine.

Molecular Properties

Compound Name2-methylbenzo[b][1,8]naphthyridine
PubChem CID118895198
Molecular FormulaC13H10N2
Molecular Weight194.24 g/mol
Exact Mass194.08
IUPAC Name2-methylbenzo[b][1,8]naphthyridine
SMILESCc1ccc2cc3ccccc3nc2n1
InChIInChI=1S/C13H10N2/c1-9-6-7-11-8-10-4-2-3-5-12(10)15-13(11)14-9/h2-8H,1H3
InChIKeyQKLRCXLZBLTDSH-UHFFFAOYSA-N
XLogP3.09
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methylbenzo[b][1,8]naphthyridine?
The IUPAC name of 2-methylbenzo[b][1,8]naphthyridine (CID 118895198) is 2-methylbenzo[b][1,8]naphthyridine.
What is the SMILES notation for 2-methylbenzo[b][1,8]naphthyridine?
The canonical SMILES for 2-methylbenzo[b][1,8]naphthyridine is Cc1ccc2cc3ccccc3nc2n1.
What is the InChIKey of 2-methylbenzo[b][1,8]naphthyridine?
The InChIKey is QKLRCXLZBLTDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N2/c1-9-6-7-11-8-10-4-2-3-5-12(10)15-13(11)14-9/h2-8H,1H3.
What are the key properties of 2-methylbenzo[b][1,8]naphthyridine?
2-methylbenzo[b][1,8]naphthyridine has a molecular weight of 194.24 g/mol, XLogP of 3.09, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylbenzo[b][1,8]naphthyridine is sourced from PubChem (CID 118895198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).