3-ethylbenzo[c][1,5]naphthyridine

C14H12N2 — CID 129310998

IUPAC3-ethylbenzo[c][1,5]naphthyridine
SMILESCCc1cnc2c(c1)ncc1ccccc12
InChIInChI=1S/C14H12N2/c1-2-10-7-13-14(16-8-10)12-6-4-3-5-11(12)9-15-13/h3-9H,2H2,1H3
InChIKeyMZNJOSXSPHBPMN-UHFFFAOYSA-N
MW208.26 g/mol
LogP3.35
Rot. Bonds1

About 3-ethylbenzo[c][1,5]naphthyridine

3-ethylbenzo[c][1,5]naphthyridine (PubChem CID 129310998) has the molecular formula C14H12N2 and a molecular weight of 208.26 g/mol. Its IUPAC name is 3-ethylbenzo[c][1,5]naphthyridine.

Molecular Properties

Compound Name3-ethylbenzo[c][1,5]naphthyridine
PubChem CID129310998
Molecular FormulaC14H12N2
Molecular Weight208.26 g/mol
Exact Mass208.10
IUPAC Name3-ethylbenzo[c][1,5]naphthyridine
SMILESCCc1cnc2c(c1)ncc1ccccc12
InChIInChI=1S/C14H12N2/c1-2-10-7-13-14(16-8-10)12-6-4-3-5-11(12)9-15-13/h3-9H,2H2,1H3
InChIKeyMZNJOSXSPHBPMN-UHFFFAOYSA-N
XLogP3.35
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 53.35
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 3-ethylbenzo[c][1,5]naphthyridine?
The IUPAC name of 3-ethylbenzo[c][1,5]naphthyridine (CID 129310998) is 3-ethylbenzo[c][1,5]naphthyridine.
What is the SMILES notation for 3-ethylbenzo[c][1,5]naphthyridine?
The canonical SMILES for 3-ethylbenzo[c][1,5]naphthyridine is CCc1cnc2c(c1)ncc1ccccc12.
What is the InChIKey of 3-ethylbenzo[c][1,5]naphthyridine?
The InChIKey is MZNJOSXSPHBPMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2/c1-2-10-7-13-14(16-8-10)12-6-4-3-5-11(12)9-15-13/h3-9H,2H2,1H3.
What are the key properties of 3-ethylbenzo[c][1,5]naphthyridine?
3-ethylbenzo[c][1,5]naphthyridine has a molecular weight of 208.26 g/mol, XLogP of 3.35, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylbenzo[c][1,5]naphthyridine is sourced from PubChem (CID 129310998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).