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

C42H33N7O3 — CID 67601940

IUPAC3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
SMILESCN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1.O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccoc1
InChIInChI=1S/C23H20N4O.C19H13N3O2/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28;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/h3-16H,1-2H3;1-13H
InChIKeyZSXBKGRBCVIWPJ-UHFFFAOYSA-N
MW683.77 g/mol
LogP7.55
Rot. Bonds7

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

3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one (PubChem CID 67601940) has the molecular formula C42H33N7O3 and a molecular weight of 683.77 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
PubChem CID67601940
Molecular FormulaC42H33N7O3
Molecular Weight683.77 g/mol
Exact Mass683.26
IUPAC Name3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one
SMILESCN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1.O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccoc1
InChIInChI=1S/C23H20N4O.C19H13N3O2/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28;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/h3-16H,1-2H3;1-13H
InChIKeyZSXBKGRBCVIWPJ-UHFFFAOYSA-N
XLogP7.55
TPSA110.88 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500683.77
LogP ≤ 57.55
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-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one;3-[(4-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 67601435
2-phenyl-3-(pyridin-4-ylmethylideneamino)quinazolin-4-one
CID 4025421
3-[[3-bromo-4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 4569801
[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
3-[(3-methylfuran-2-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5115868
3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409625
3-[[4-[(2S)-butan-2-yl]oxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126411172
3-(cinnamylideneamino)-2-phenylquinazolin-4-one
CID 4019443
3-[(E)-(4-hydroxy-3-methoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 135770164
3-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-2-[(2-methylphenoxy)methyl]quinazolin-4-one
CID 6863529
3-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 29456276

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one?
The IUPAC name of 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one (CID 67601940) is 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one is CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)cc1.O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1ccoc1.
What is the InChIKey of 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one?
The InChIKey is ZSXBKGRBCVIWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O.C19H13N3O2/c1-26(2)19-14-12-17(13-15-19)16-24-27-22(18-8-4-3-5-9-18)25-21-11-7-6-10-20(21)23(27)28;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/h3-16H,1-2H3;1-13H.
What are the key properties of 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one?
3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one has a molecular weight of 683.77 g/mol, XLogP of 7.55, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)phenyl]methylideneamino]-2-phenylquinazolin-4-one;3-(furan-3-ylmethylideneamino)-2-phenylquinazolin-4-one is sourced from PubChem (CID 67601940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).