7-methoxy-2,3,4-triphenyl-4H-quinazoline

C27H22N2O — CID 162660169

IUPAC7-methoxy-2,3,4-triphenyl-4H-quinazoline
SMILESCOc1ccc2c(c1)N=C(c1ccccc1)N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C27H22N2O/c1-30-23-17-18-24-25(19-23)28-27(21-13-7-3-8-14-21)29(22-15-9-4-10-16-22)26(24)20-11-5-2-6-12-20/h2-19,26H,1H3
InChIKeyCEJCZMWLJPKNBO-UHFFFAOYSA-N
MW390.49 g/mol
LogP6.38
Rot. Bonds4

About 7-methoxy-2,3,4-triphenyl-4H-quinazoline

7-methoxy-2,3,4-triphenyl-4H-quinazoline (PubChem CID 162660169) has the molecular formula C27H22N2O and a molecular weight of 390.49 g/mol. Its IUPAC name is 7-methoxy-2,3,4-triphenyl-4H-quinazoline.

Molecular Properties

Compound Name7-methoxy-2,3,4-triphenyl-4H-quinazoline
PubChem CID162660169
Molecular FormulaC27H22N2O
Molecular Weight390.49 g/mol
Exact Mass390.17
IUPAC Name7-methoxy-2,3,4-triphenyl-4H-quinazoline
SMILESCOc1ccc2c(c1)N=C(c1ccccc1)N(c1ccccc1)C2c1ccccc1
InChIInChI=1S/C27H22N2O/c1-30-23-17-18-24-25(19-23)28-27(21-13-7-3-8-14-21)29(22-15-9-4-10-16-22)26(24)20-11-5-2-6-12-20/h2-19,26H,1H3
InChIKeyCEJCZMWLJPKNBO-UHFFFAOYSA-N
XLogP6.38
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.49
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-2,3,4-triphenyl-4H-quinazoline?
The IUPAC name of 7-methoxy-2,3,4-triphenyl-4H-quinazoline (CID 162660169) is 7-methoxy-2,3,4-triphenyl-4H-quinazoline.
What is the SMILES notation for 7-methoxy-2,3,4-triphenyl-4H-quinazoline?
The canonical SMILES for 7-methoxy-2,3,4-triphenyl-4H-quinazoline is COc1ccc2c(c1)N=C(c1ccccc1)N(c1ccccc1)C2c1ccccc1.
What is the InChIKey of 7-methoxy-2,3,4-triphenyl-4H-quinazoline?
The InChIKey is CEJCZMWLJPKNBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N2O/c1-30-23-17-18-24-25(19-23)28-27(21-13-7-3-8-14-21)29(22-15-9-4-10-16-22)26(24)20-11-5-2-6-12-20/h2-19,26H,1H3.
What are the key properties of 7-methoxy-2,3,4-triphenyl-4H-quinazoline?
7-methoxy-2,3,4-triphenyl-4H-quinazoline has a molecular weight of 390.49 g/mol, XLogP of 6.38, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-2,3,4-triphenyl-4H-quinazoline is sourced from PubChem (CID 162660169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).