2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one

C26H19N3O2 — CID 90967896

IUPAC2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one
SMILESCOc1ccc(C=Cc2nc3c(ccc4ncccc43)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C26H19N3O2/c1-31-20-12-9-18(10-13-20)11-16-24-28-25-21-8-5-17-27-23(21)15-14-22(25)26(30)29(24)19-6-3-2-4-7-19/h2-17H,1H3
InChIKeyOGOWMQIYLYEUBO-UHFFFAOYSA-N
MW405.46 g/mol
LogP5.11
Rot. Bonds4

About 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one

2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one (PubChem CID 90967896) has the molecular formula C26H19N3O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one
PubChem CID90967896
Molecular FormulaC26H19N3O2
Molecular Weight405.46 g/mol
Exact Mass405.15
IUPAC Name2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one
SMILESCOc1ccc(C=Cc2nc3c(ccc4ncccc43)c(=O)n2-c2ccccc2)cc1
InChIInChI=1S/C26H19N3O2/c1-31-20-12-9-18(10-13-20)11-16-24-28-25-21-8-5-17-27-23(21)15-14-22(25)26(30)29(24)19-6-3-2-4-7-19/h2-17H,1H3
InChIKeyOGOWMQIYLYEUBO-UHFFFAOYSA-N
XLogP5.11
TPSA57.01 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.46
LogP ≤ 55.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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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-(4-methoxyphenyl)ethenyl]-3-[4-[3-(4-methoxyphenyl)prop-2-enoyl]phenyl]quinazolin-4-one
CID 71960265
2-[(Z)-2-(2,5-dimethoxyphenyl)ethenyl]-3-(4-methoxyphenyl)quinazolin-4-one
CID 92967429
2-(4-methoxyphenyl)-3-(4-nitrophenyl)pyrido[2,3-h]quinazolin-4-one
CID 11133653
3-(4-bromophenyl)-6-iodo-2-[(E)-2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 6238654
6-iodo-3-(3-methoxyphenyl)-2-[2-(4-methoxyphenyl)ethenyl]quinazolin-4-one
CID 3713569
2-[2-(2-hydroxyphenyl)ethenyl]-3-(3-methoxyphenyl)quinazolin-4-one
CID 632826
2-[2-(4-ethylphenyl)ethenyl]-3-phenylquinazolin-4-one
CID 2957556
8-(4-methoxyphenyl)-6-phenylpyrido[2,3-d]pyridazin-5-one
CID 19700943
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

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one (CID 90967896) is 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one is COc1ccc(C=Cc2nc3c(ccc4ncccc43)c(=O)n2-c2ccccc2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one?
The InChIKey is OGOWMQIYLYEUBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19N3O2/c1-31-20-12-9-18(10-13-20)11-16-24-28-25-21-8-5-17-27-23(21)15-14-22(25)26(30)29(24)19-6-3-2-4-7-19/h2-17H,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one?
2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one has a molecular weight of 405.46 g/mol, XLogP of 5.11, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethenyl]-3-phenylpyrido[2,3-h]quinazolin-4-one is sourced from PubChem (CID 90967896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).