2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one

C25H22N2O4 — CID 92967429

IUPAC2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C\c3cc(OC)ccc3OC)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H22N2O4/c1-29-19-11-9-18(10-12-19)27-24(26-22-7-5-4-6-21(22)25(27)28)15-8-17-16-20(30-2)13-14-23(17)31-3/h4-16H,1-3H3/b15-8-
InChIKeyBFRLGQJWEBBIPC-NVNXTCNLSA-N
MW414.46 g/mol
LogP4.58
Rot. Bonds6

About 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one

2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one (PubChem CID 92967429) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one.

Molecular Properties

Compound Name2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
PubChem CID92967429
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
SMILESCOc1ccc(-n2c(/C=C\c3cc(OC)ccc3OC)nc3ccccc3c2=O)cc1
InChIInChI=1S/C25H22N2O4/c1-29-19-11-9-18(10-12-19)27-24(26-22-7-5-4-6-21(22)25(27)28)15-8-17-16-20(30-2)13-14-23(17)31-3/h4-16H,1-3H3/b15-8-
InChIKeyBFRLGQJWEBBIPC-NVNXTCNLSA-N
XLogP4.58
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(4-methoxyphenyl)-2-[(E)-2-phenylethenyl]quinazolin-4-one
CID 5336410
2-[(E)-2-(4-methoxyphenyl)ethenyl]-3-(4-methylphenyl)quinazolin-4-one
CID 5379493
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
3-(3,4-dimethoxyphenyl)-2-[(E)-2-(2,3-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 20966993
2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2862994
2-[2-(2-chlorophenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 2900924
3-(4-chlorophenyl)-2-[2-(3,4-dimethoxyphenyl)ethenyl]quinazolin-4-one
CID 2978952
2-[(2Z)-2-[(2,5-dimethoxyphenyl)methylidene]hydrazinyl]-3-phenylquinazolin-4-one
CID 6511521
2-[(E)-2-(5-methoxy-1H-indol-3-yl)ethenyl]-3-(2-methoxyphenyl)quinazolin-4-one
CID 135584614
2-[2-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
2-[(E)-2-[3-(difluoromethoxy)-4-methoxyphenyl]ethenyl]-3-phenylquinazolin-4-one
CID 31472984
3-(3,5-dimethylphenyl)-2-[2-(2-hydroxy-3-methoxyphenyl)ethenyl]quinazolin-4-one
CID 136507453

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The IUPAC name of 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one (CID 92967429) is 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one.
What is the SMILES notation for 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The canonical SMILES for 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one is COc1ccc(-n2c(/C=C\c3cc(OC)ccc3OC)nc3ccccc3c2=O)cc1.
What is the InChIKey of 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
The InChIKey is BFRLGQJWEBBIPC-NVNXTCNLSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-29-19-11-9-18(10-12-19)27-24(26-22-7-5-4-6-21(22)25(27)28)15-8-17-16-20(30-2)13-14-23(17)31-3/h4-16H,1-3H3/b15-8-.
What are the key properties of 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one?
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one has a molecular weight of 414.46 g/mol, XLogP of 4.58, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one is sourced from PubChem (CID 92967429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).