3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one

C41H30N6O4 — CID 67601435

IUPAC3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1.O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccoc1
InChIInChI=1S/C22H17N3O2.C19H13N3O2/c1-27-18-13-11-16(12-14-18)15-23-25-21(17-7-3-2-4-8-17)24-20-10-6-5-9-19(20)22(25)26;23-19-16-8-4-5-9-17(16)21-18(15-6-2-1-3-7-15)22(19)20-12-14-10-11-24-13-14/h2-15H,1H3;1-13H
InChIKeyMEDWEGXEXWUQTP-UHFFFAOYSA-N
MW670.73 g/mol
LogP7.49
Rot. Bonds7

About 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one

3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 67601435) has the molecular formula C41H30N6O4 and a molecular weight of 670.73 g/mol. Its IUPAC name is 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
PubChem CID67601435
Molecular FormulaC41H30N6O4
Molecular Weight670.73 g/mol
Exact Mass670.23
IUPAC Name3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
SMILESCOc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1.O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccoc1
InChIInChI=1S/C22H17N3O2.C19H13N3O2/c1-27-18-13-11-16(12-14-18)15-23-25-21(17-7-3-2-4-8-17)24-20-10-6-5-9-19(20)22(25)26;23-19-16-8-4-5-9-17(16)21-18(15-6-2-1-3-7-15)22(19)20-12-14-10-11-24-13-14/h2-15H,1H3;1-13H
InChIKeyMEDWEGXEXWUQTP-UHFFFAOYSA-N
XLogP7.49
TPSA116.87 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms51
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500670.73
LogP ≤ 57.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
CID 67601940
3-[3-(4-methoxyphenyl)prop-2-enylideneamino]-2-phenylquinazolin-4-one
CID 4611421
[4-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]phenyl] acetate
CID 126405316
2-phenyl-3-[(E)-(4-prop-2-enoxyphenyl)methylideneamino]quinazolin-4-one
CID 71566728
2-(3-methoxyphenyl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 1049564
3-[[4-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126411172
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
3-[(Z)-(3-bromo-4-hydroxy-5-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 136904665
2-(4-methoxyphenyl)-3-[(5-methyl-3-oxo-2-phenyl-1H-pyrazol-4-yl)methylideneamino]quinazolin-4-one
CID 136624325
2-(3,4-dimethoxyphenyl)-3-[(E)-(3,4-dimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 6859761
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868

Frequently Asked Questions

What is the IUPAC name of 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one (CID 67601435) is 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one is COc1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1.O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccoc1.
What is the InChIKey of 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is MEDWEGXEXWUQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N3O2.C19H13N3O2/c1-27-18-13-11-16(12-14-18)15-23-25-21(17-7-3-2-4-8-17)24-20-10-6-5-9-19(20)22(25)26;23-19-16-8-4-5-9-17(16)21-18(15-6-2-1-3-7-15)22(19)20-12-14-10-11-24-13-14/h2-15H,1H3;1-13H.
What are the key properties of 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one?
3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 670.73 g/mol, XLogP of 7.49, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 67601435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).