6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one

C19H18N2O3 — CID 29148303

IUPAC6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
SMILESCOc1cc2ncn(C/C=C/c3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C19H18N2O3/c1-23-17-11-15-16(12-18(17)24-2)20-13-21(19(15)22)10-6-9-14-7-4-3-5-8-14/h3-9,11-13H,10H2,1-2H3/b9-6+
InChIKeyZFHFDRGTHYEDDH-RMKNXTFCSA-N
MW322.36 g/mol
LogP3.13
Rot. Bonds5

About 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one

6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one (PubChem CID 29148303) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
PubChem CID29148303
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one
SMILESCOc1cc2ncn(C/C=C/c3ccccc3)c(=O)c2cc1OC
InChIInChI=1S/C19H18N2O3/c1-23-17-11-15-16(12-18(17)24-2)20-13-21(19(15)22)10-6-9-14-7-4-3-5-8-14/h3-9,11-13H,10H2,1-2H3/b9-6+
InChIKeyZFHFDRGTHYEDDH-RMKNXTFCSA-N
XLogP3.13
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one?
The IUPAC name of 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one (CID 29148303) is 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one.
What is the SMILES notation for 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one?
The canonical SMILES for 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one is COc1cc2ncn(C/C=C/c3ccccc3)c(=O)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one?
The InChIKey is ZFHFDRGTHYEDDH-RMKNXTFCSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-23-17-11-15-16(12-18(17)24-2)20-13-21(19(15)22)10-6-9-14-7-4-3-5-8-14/h3-9,11-13H,10H2,1-2H3/b9-6+.
What are the key properties of 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one?
6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one has a molecular weight of 322.36 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-3-[(E)-3-phenylprop-2-enyl]quinazolin-4-one is sourced from PubChem (CID 29148303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).