2-methyl-4,10-diphenylbenzo[g]quinazoline

C25H18N2 — CID 160887193

IUPAC2-methyl-4,10-diphenylbenzo[g]quinazoline
SMILESCc1nc(-c2ccccc2)c2cc3ccccc3c(-c3ccccc3)c2n1
InChIInChI=1S/C25H18N2/c1-17-26-24(19-12-6-3-7-13-19)22-16-20-14-8-9-15-21(20)23(25(22)27-17)18-10-4-2-5-11-18/h2-16H,1H3
InChIKeyQQTIJFHKLXMTGK-UHFFFAOYSA-N
MW346.43 g/mol
LogP6.43
Rot. Bonds2

About 2-methyl-4,10-diphenylbenzo[g]quinazoline

2-methyl-4,10-diphenylbenzo[g]quinazoline (PubChem CID 160887193) has the molecular formula C25H18N2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 2-methyl-4,10-diphenylbenzo[g]quinazoline.

Molecular Properties

Compound Name2-methyl-4,10-diphenylbenzo[g]quinazoline
PubChem CID160887193
Molecular FormulaC25H18N2
Molecular Weight346.43 g/mol
Exact Mass346.15
IUPAC Name2-methyl-4,10-diphenylbenzo[g]quinazoline
SMILESCc1nc(-c2ccccc2)c2cc3ccccc3c(-c3ccccc3)c2n1
InChIInChI=1S/C25H18N2/c1-17-26-24(19-12-6-3-7-13-19)22-16-20-14-8-9-15-21(20)23(25(22)27-17)18-10-4-2-5-11-18/h2-16H,1H3
InChIKeyQQTIJFHKLXMTGK-UHFFFAOYSA-N
XLogP6.43
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms27
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.43
LogP ≤ 56.43
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-methyl-4,10-diphenylbenzo[g]quinazoline?
The IUPAC name of 2-methyl-4,10-diphenylbenzo[g]quinazoline (CID 160887193) is 2-methyl-4,10-diphenylbenzo[g]quinazoline.
What is the SMILES notation for 2-methyl-4,10-diphenylbenzo[g]quinazoline?
The canonical SMILES for 2-methyl-4,10-diphenylbenzo[g]quinazoline is Cc1nc(-c2ccccc2)c2cc3ccccc3c(-c3ccccc3)c2n1.
What is the InChIKey of 2-methyl-4,10-diphenylbenzo[g]quinazoline?
The InChIKey is QQTIJFHKLXMTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N2/c1-17-26-24(19-12-6-3-7-13-19)22-16-20-14-8-9-15-21(20)23(25(22)27-17)18-10-4-2-5-11-18/h2-16H,1H3.
What are the key properties of 2-methyl-4,10-diphenylbenzo[g]quinazoline?
2-methyl-4,10-diphenylbenzo[g]quinazoline has a molecular weight of 346.43 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,10-diphenylbenzo[g]quinazoline is sourced from PubChem (CID 160887193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).