3-(cinnamylideneamino)-2-phenylquinazolin-4-one

C23H17N3O — CID 4019443

IUPAC3-(cinnamylideneamino)-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=CC=Cc1ccccc1
InChIInChI=1S/C23H17N3O/c27-23-20-15-7-8-16-21(20)25-22(19-13-5-2-6-14-19)26(23)24-17-9-12-18-10-3-1-4-11-18/h1-17H
InChIKeyVNDNIMFLUHWVAS-UHFFFAOYSA-N
MW351.41 g/mol
LogP4.61
Rot. Bonds4

About 3-(cinnamylideneamino)-2-phenylquinazolin-4-one

3-(cinnamylideneamino)-2-phenylquinazolin-4-one (PubChem CID 4019443) has the molecular formula C23H17N3O and a molecular weight of 351.41 g/mol. Its IUPAC name is 3-(cinnamylideneamino)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(cinnamylideneamino)-2-phenylquinazolin-4-one
PubChem CID4019443
Molecular FormulaC23H17N3O
Molecular Weight351.41 g/mol
Exact Mass351.14
IUPAC Name3-(cinnamylideneamino)-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=CC=Cc1ccccc1
InChIInChI=1S/C23H17N3O/c27-23-20-15-7-8-16-21(20)25-22(19-13-5-2-6-14-19)26(23)24-17-9-12-18-10-3-1-4-11-18/h1-17H
InChIKeyVNDNIMFLUHWVAS-UHFFFAOYSA-N
XLogP4.61
TPSA47.25 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one
CID 4611421
2-methylsulfanyl-3-[(E)-[(E)-3-phenylprop-2-enylidene]amino]quinazolin-4-one
CID 10903336
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
3-[[2-[(2-methylpropan-2-yl)oxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405167
3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 67601435
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
2-phenyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 71566728
2-phenyl-3-[(2-phenylsulfanylphenyl)methylideneamino]quinazolin-4-one
CID 3949629
3-[(3,5-dichloro-4-ethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126405181

Frequently Asked Questions

What is the IUPAC name of 3-(cinnamylideneamino)-2-phenylquinazolin-4-one?
The IUPAC name of 3-(cinnamylideneamino)-2-phenylquinazolin-4-one (CID 4019443) is 3-(cinnamylideneamino)-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-(cinnamylideneamino)-2-phenylquinazolin-4-one?
The canonical SMILES for 3-(cinnamylideneamino)-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1N=CC=Cc1ccccc1.
What is the InChIKey of 3-(cinnamylideneamino)-2-phenylquinazolin-4-one?
The InChIKey is VNDNIMFLUHWVAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O/c27-23-20-15-7-8-16-21(20)25-22(19-13-5-2-6-14-19)26(23)24-17-9-12-18-10-3-1-4-11-18/h1-17H.
What are the key properties of 3-(cinnamylideneamino)-2-phenylquinazolin-4-one?
3-(cinnamylideneamino)-2-phenylquinazolin-4-one has a molecular weight of 351.41 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cinnamylideneamino)-2-phenylquinazolin-4-one is sourced from PubChem (CID 4019443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).