3-(4-methoxyphenyl)benzo[f]quinazoline

C19H14N2O — CID 625441

IUPAC3-(4-methoxyphenyl)benzo[f]quinazoline
SMILESCOc1ccc(-c2ncc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C19H14N2O/c1-22-15-9-6-14(7-10-15)19-20-12-17-16-5-3-2-4-13(16)8-11-18(17)21-19/h2-12H,1H3
InChIKeyCADPXUBGTFMZAG-UHFFFAOYSA-N
MW286.33 g/mol
LogP4.46
Rot. Bonds2

About 3-(4-methoxyphenyl)benzo[f]quinazoline

3-(4-methoxyphenyl)benzo[f]quinazoline (PubChem CID 625441) has the molecular formula C19H14N2O and a molecular weight of 286.33 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)benzo[f]quinazoline.

Molecular Properties

Compound Name3-(4-methoxyphenyl)benzo[f]quinazoline
PubChem CID625441
Molecular FormulaC19H14N2O
Molecular Weight286.33 g/mol
Exact Mass286.11
IUPAC Name3-(4-methoxyphenyl)benzo[f]quinazoline
SMILESCOc1ccc(-c2ncc3c(ccc4ccccc43)n2)cc1
InChIInChI=1S/C19H14N2O/c1-22-15-9-6-14(7-10-15)19-20-12-17-16-5-3-2-4-13(16)8-11-18(17)21-19/h2-12H,1H3
InChIKeyCADPXUBGTFMZAG-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(4-methoxyphenyl)benzo[f]quinazoline?
The IUPAC name of 3-(4-methoxyphenyl)benzo[f]quinazoline (CID 625441) is 3-(4-methoxyphenyl)benzo[f]quinazoline.
What is the SMILES notation for 3-(4-methoxyphenyl)benzo[f]quinazoline?
The canonical SMILES for 3-(4-methoxyphenyl)benzo[f]quinazoline is COc1ccc(-c2ncc3c(ccc4ccccc43)n2)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)benzo[f]quinazoline?
The InChIKey is CADPXUBGTFMZAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O/c1-22-15-9-6-14(7-10-15)19-20-12-17-16-5-3-2-4-13(16)8-11-18(17)21-19/h2-12H,1H3.
What are the key properties of 3-(4-methoxyphenyl)benzo[f]quinazoline?
3-(4-methoxyphenyl)benzo[f]quinazoline has a molecular weight of 286.33 g/mol, XLogP of 4.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)benzo[f]quinazoline is sourced from PubChem (CID 625441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).