3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one

C30H26N4O2 — CID 126409625

IUPAC3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
SMILESCN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(OCc2ccccc2)c1
InChIInChI=1S/C30H26N4O2/c1-33(2)25-18-17-24(28(19-25)36-21-22-11-5-3-6-12-22)20-31-34-29(23-13-7-4-8-14-23)32-27-16-10-9-15-26(27)30(34)35/h3-20H,21H2,1-2H3
InChIKeyNANYPMMAHWLXOU-UHFFFAOYSA-N
MW474.56 g/mol
LogP5.59
Rot. Bonds7

About 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one

3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 126409625) has the molecular formula C30H26N4O2 and a molecular weight of 474.56 g/mol. Its IUPAC name is 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
PubChem CID126409625
Molecular FormulaC30H26N4O2
Molecular Weight474.56 g/mol
Exact Mass474.21
IUPAC Name3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
SMILESCN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(OCc2ccccc2)c1
InChIInChI=1S/C30H26N4O2/c1-33(2)25-18-17-24(28(19-25)36-21-22-11-5-3-6-12-22)20-31-34-29(23-13-7-4-8-14-23)32-27-16-10-9-15-26(27)30(34)35/h3-20H,21H2,1-2H3
InChIKeyNANYPMMAHWLXOU-UHFFFAOYSA-N
XLogP5.59
TPSA59.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.56
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(5-bromo-2-phenylmethoxyphenyl)methylideneamino]-2-phenylquinazolin-4-one
CID 126410693
3-[[4-(dimethylamino)-2-prop-2-enoxyphenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126281526
3-[[5-bromo-2-[(4-bromophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408324
2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 126309650
propan-2-yl 2-[5-(dimethylamino)-2-[[4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-3-yl]iminomethyl]phenoxy]acetate
CID 126308441
6-bromo-3-[[2-[(4-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-2-methylquinazolin-4-one
CID 126292128
3-[(1-benzyl-2,5-dimethylpyrrol-3-yl)methylideneamino]-2-phenylquinazolin-4-one
CID 5126923
3-[[5-bromo-2-[(4-fluorophenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405994
6-bromo-3-[[4-(dimethylamino)-2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-ethylquinazolin-4-one
CID 126280554
3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126305548
3-[[2,3-dibromo-5-methoxy-4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409728
3-[[2-[(3-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408378

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one (CID 126409625) is 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one is CN(C)c1ccc(C=Nn2c(-c3ccccc3)nc3ccccc3c2=O)c(OCc2ccccc2)c1.
What is the InChIKey of 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is NANYPMMAHWLXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2/c1-33(2)25-18-17-24(28(19-25)36-21-22-11-5-3-6-12-22)20-31-34-29(23-13-7-4-8-14-23)32-27-16-10-9-15-26(27)30(34)35/h3-20H,21H2,1-2H3.
What are the key properties of 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one?
3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 474.56 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(dimethylamino)-2-phenylmethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 126409625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).