3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one

C32H21Cl2N3O2 — CID 126410697

IUPAC3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12
InChIInChI=1S/C32H21Cl2N3O2/c33-27-16-14-21(18-28(27)34)20-39-30-17-15-22-8-4-5-11-24(22)26(30)19-35-37-31(23-9-2-1-3-10-23)36-29-13-7-6-12-25(29)32(37)38/h1-19H,20H2
InChIKeyXAGAMQOOYIZDPR-UHFFFAOYSA-N
MW550.45 g/mol
LogP7.98
Rot. Bonds6

About 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one

3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one (PubChem CID 126410697) has the molecular formula C32H21Cl2N3O2 and a molecular weight of 550.45 g/mol. Its IUPAC name is 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one.

Molecular Properties

Compound Name3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
PubChem CID126410697
Molecular FormulaC32H21Cl2N3O2
Molecular Weight550.45 g/mol
Exact Mass549.10
IUPAC Name3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12
InChIInChI=1S/C32H21Cl2N3O2/c33-27-16-14-21(18-28(27)34)20-39-30-17-15-22-8-4-5-11-24(22)26(30)19-35-37-31(23-9-2-1-3-10-23)36-29-13-7-6-12-25(29)32(37)38/h1-19H,20H2
InChIKeyXAGAMQOOYIZDPR-UHFFFAOYSA-N
XLogP7.98
TPSA56.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500550.45
LogP ≤ 57.98
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-(naphthalen-1-ylmethoxy)naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406359
3-[[2-[(3-nitrophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126406015
2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126302818
3-[(2-phenylmethoxynaphthalen-1-yl)methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126314574
3-[[4-[(3,4-dichlorophenyl)methoxy]-3-ethoxy-5-iodophenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405625
6-bromo-2-butyl-3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126331221
6-bromo-2-[(2S)-butan-2-yl]-3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126316681
(2S)-2-[1-[(4-oxo-2-phenylquinazolin-3-yl)iminomethyl]naphthalen-2-yl]oxypropanoic acid
CID 126408699
3-[[4-[(4-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-2-phenylquinazolin-4-one
CID 126408846
3-[[5-bromo-2-[(3,4-dichlorophenyl)methoxy]phenyl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126307631
3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126290491

Frequently Asked Questions

What is the IUPAC name of 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one?
The IUPAC name of 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one (CID 126410697) is 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one.
What is the SMILES notation for 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one?
The canonical SMILES for 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one is O=c1c2ccccc2nc(-c2ccccc2)n1N=Cc1c(OCc2ccc(Cl)c(Cl)c2)ccc2ccccc12.
What is the InChIKey of 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one?
The InChIKey is XAGAMQOOYIZDPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H21Cl2N3O2/c33-27-16-14-21(18-28(27)34)20-39-30-17-15-22-8-4-5-11-24(22)26(30)19-35-37-31(23-9-2-1-3-10-23)36-29-13-7-6-12-25(29)32(37)38/h1-19H,20H2.
What are the key properties of 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one?
3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one has a molecular weight of 550.45 g/mol, XLogP of 7.98, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one is sourced from PubChem (CID 126410697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).