1,3-bis(2-methoxyphenyl)benzo[f]quinazoline

C26H20N2O2 — CID 562166

IUPAC1,3-bis(2-methoxyphenyl)benzo[f]quinazoline
SMILESCOc1ccccc1-c1nc(-c2ccccc2OC)c2c(ccc3ccccc32)n1
InChIInChI=1S/C26H20N2O2/c1-29-22-13-7-5-11-19(22)25-24-18-10-4-3-9-17(18)15-16-21(24)27-26(28-25)20-12-6-8-14-23(20)30-2/h3-16H,1-2H3
InChIKeyZGFNWRPKMZWLGN-UHFFFAOYSA-N
MW392.46 g/mol
LogP6.13
Rot. Bonds4

About 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline

1,3-bis(2-methoxyphenyl)benzo[f]quinazoline (PubChem CID 562166) has the molecular formula C26H20N2O2 and a molecular weight of 392.46 g/mol. Its IUPAC name is 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline.

Molecular Properties

Compound Name1,3-bis(2-methoxyphenyl)benzo[f]quinazoline
PubChem CID562166
Molecular FormulaC26H20N2O2
Molecular Weight392.46 g/mol
Exact Mass392.15
IUPAC Name1,3-bis(2-methoxyphenyl)benzo[f]quinazoline
SMILESCOc1ccccc1-c1nc(-c2ccccc2OC)c2c(ccc3ccccc32)n1
InChIInChI=1S/C26H20N2O2/c1-29-22-13-7-5-11-19(22)25-24-18-10-4-3-9-17(18)15-16-21(24)27-26(28-25)20-12-6-8-14-23(20)30-2/h3-16H,1-2H3
InChIKeyZGFNWRPKMZWLGN-UHFFFAOYSA-N
XLogP6.13
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.46
LogP ≤ 56.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline?
The IUPAC name of 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline (CID 562166) is 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline.
What is the SMILES notation for 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline?
The canonical SMILES for 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline is COc1ccccc1-c1nc(-c2ccccc2OC)c2c(ccc3ccccc32)n1.
What is the InChIKey of 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline?
The InChIKey is ZGFNWRPKMZWLGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O2/c1-29-22-13-7-5-11-19(22)25-24-18-10-4-3-9-17(18)15-16-21(24)27-26(28-25)20-12-6-8-14-23(20)30-2/h3-16H,1-2H3.
What are the key properties of 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline?
1,3-bis(2-methoxyphenyl)benzo[f]quinazoline has a molecular weight of 392.46 g/mol, XLogP of 6.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2-methoxyphenyl)benzo[f]quinazoline is sourced from PubChem (CID 562166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).