3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one

C36H25N3O2 — CID 126406359

IUPAC3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C36H25N3O2/c40-36-31-19-8-9-20-33(31)38-35(27-13-2-1-3-14-27)39(36)37-23-32-30-18-7-5-12-26(30)21-22-34(32)41-24-28-16-10-15-25-11-4-6-17-29(25)28/h1-23H,24H2
InChIKeyFLMAQRIHHVTPQY-UHFFFAOYSA-N
MW531.62 g/mol
LogP7.83
Rot. Bonds6

About 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one

3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 126406359) has the molecular formula C36H25N3O2 and a molecular weight of 531.62 g/mol. Its IUPAC name is 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
PubChem CID126406359
Molecular FormulaC36H25N3O2
Molecular Weight531.62 g/mol
Exact Mass531.19
IUPAC Name3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12
InChIInChI=1S/C36H25N3O2/c40-36-31-19-8-9-20-33(31)38-35(27-13-2-1-3-14-27)39(36)37-23-32-30-18-7-5-12-26(30)21-22-34(32)41-24-28-16-10-15-25-11-4-6-17-29(25)28/h1-23H,24H2
InChIKeyFLMAQRIHHVTPQY-UHFFFAOYSA-N
XLogP7.83
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.62
LogP ≤ 57.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-[(4-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126409396
3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126410697
3-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406015
3-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126314574
3-[[3,5-dimethoxy-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408770
(2S)-2-[1-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoic acid
CID 126408699
3-[[2-(naphthalen-1-ylmethoxy)-3-nitrophenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406178
3-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126308153
3-[[3-iodo-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126287722
3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126301616
3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126301619
2-(5-bromo-1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126296135

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one (CID 126406359) is 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c(OCc2cccc3ccccc23)ccc2ccccc12.
What is the InChIKey of 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is FLMAQRIHHVTPQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H25N3O2/c40-36-31-19-8-9-20-33(31)38-35(27-13-2-1-3-14-27)39(36)37-23-32-30-18-7-5-12-26(30)21-22-34(32)41-24-28-16-10-15-25-11-4-6-17-29(25)28/h1-23H,24H2.
What are the key properties of 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one?
3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 531.62 g/mol, XLogP of 7.83, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 126406359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).