3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine

C16H16N2O — CID 167152950

IUPAC3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine
SMILESCOc1ncc2cc3ccccc3nc2c1C(C)C
InChIInChI=1S/C16H16N2O/c1-10(2)14-15-12(9-17-16(14)19-3)8-11-6-4-5-7-13(11)18-15/h4-10H,1-3H3
InChIKeyYKPNBHFJSJUNTM-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.91
Rot. Bonds2

About 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine

3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine (PubChem CID 167152950) has the molecular formula C16H16N2O and a molecular weight of 252.32 g/mol. Its IUPAC name is 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine.

Molecular Properties

Compound Name3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine
PubChem CID167152950
Molecular FormulaC16H16N2O
Molecular Weight252.32 g/mol
Exact Mass252.13
IUPAC Name3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine
SMILESCOc1ncc2cc3ccccc3nc2c1C(C)C
InChIInChI=1S/C16H16N2O/c1-10(2)14-15-12(9-17-16(14)19-3)8-11-6-4-5-7-13(11)18-15/h4-10H,1-3H3
InChIKeyYKPNBHFJSJUNTM-UHFFFAOYSA-N
XLogP3.91
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine?
The IUPAC name of 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine (CID 167152950) is 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine.
What is the SMILES notation for 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine?
The canonical SMILES for 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine is COc1ncc2cc3ccccc3nc2c1C(C)C.
What is the InChIKey of 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine?
The InChIKey is YKPNBHFJSJUNTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O/c1-10(2)14-15-12(9-17-16(14)19-3)8-11-6-4-5-7-13(11)18-15/h4-10H,1-3H3.
What are the key properties of 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine?
3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine has a molecular weight of 252.32 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-propan-2-ylbenzo[b][1,6]naphthyridine is sourced from PubChem (CID 167152950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).