(3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone

C23H18N2O3 — CID 177390054

IUPAC(3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(-c4ccccc4)ncnc3c2)cc1OC
InChIInChI=1S/C23H18N2O3/c1-27-20-11-9-17(13-21(20)28-2)23(26)16-8-10-18-19(12-16)24-14-25-22(18)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyCGPYSMQSSJXWPW-UHFFFAOYSA-N
MW370.41 g/mol
LogP4.55
Rot. Bonds5

About (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone

(3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone (PubChem CID 177390054) has the molecular formula C23H18N2O3 and a molecular weight of 370.41 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone
PubChem CID177390054
Molecular FormulaC23H18N2O3
Molecular Weight370.41 g/mol
Exact Mass370.13
IUPAC Name(3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone
SMILESCOc1ccc(C(=O)c2ccc3c(-c4ccccc4)ncnc3c2)cc1OC
InChIInChI=1S/C23H18N2O3/c1-27-20-11-9-17(13-21(20)28-2)23(26)16-8-10-18-19(12-16)24-14-25-22(18)15-6-4-3-5-7-15/h3-14H,1-2H3
InChIKeyCGPYSMQSSJXWPW-UHFFFAOYSA-N
XLogP4.55
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone (CID 177390054) is (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone is COc1ccc(C(=O)c2ccc3c(-c4ccccc4)ncnc3c2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone?
The InChIKey is CGPYSMQSSJXWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O3/c1-27-20-11-9-17(13-21(20)28-2)23(26)16-8-10-18-19(12-16)24-14-25-22(18)15-6-4-3-5-7-15/h3-14H,1-2H3.
What are the key properties of (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone?
(3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone has a molecular weight of 370.41 g/mol, XLogP of 4.55, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-(4-phenylquinazolin-7-yl)methanone is sourced from PubChem (CID 177390054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).