2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one

C34H22ClN3O3 — CID 126302818

IUPAC2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C34H22ClN3O3/c35-25-16-13-22(14-17-25)21-40-31-18-15-23-7-1-3-9-26(23)28(31)20-36-38-33(32-19-24-8-2-6-12-30(24)41-32)37-29-11-5-4-10-27(29)34(38)39/h1-20H,21H2
InChIKeyURBLNKGCYQCBDW-UHFFFAOYSA-N
MW556.02 g/mol
LogP8.08
Rot. Bonds6

About 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one

2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one (PubChem CID 126302818) has the molecular formula C34H22ClN3O3 and a molecular weight of 556.02 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
PubChem CID126302818
Molecular FormulaC34H22ClN3O3
Molecular Weight556.02 g/mol
Exact Mass555.13
IUPAC Name2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12
InChIInChI=1S/C34H22ClN3O3/c35-25-16-13-22(14-17-25)21-40-31-18-15-23-7-1-3-9-26(23)28(31)20-36-38-33(32-19-24-8-2-6-12-30(24)41-32)37-29-11-5-4-10-27(29)34(38)39/h1-20H,21H2
InChIKeyURBLNKGCYQCBDW-UHFFFAOYSA-N
XLogP8.08
TPSA69.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.02
LogP ≤ 58.08
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

2-(1-benzofuran-2-yl)-3-[[3-bromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126298602
2-[1-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]naphthalen-2-yl]oxyacetic acid
CID 126286501
2-(1-benzofuran-2-yl)-3-[(2-prop-2-ynoxynaphthalen-1-yl)methylideneamino]quinazolin-4-one
CID 126289733
2-(5-bromo-1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126296135
3-[[2-[(3,4-dichlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126410697
3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-ethoxy-2-methyl-5-propan-2-ylphenyl)quinazolin-4-one
CID 126290491
2-(5-chloro-1-benzofuran-2-yl)-3-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126287368
2-(1-benzofuran-2-yl)-3-[[4-[(4-chlorophenyl)methoxy]-3-methoxy-5-nitrophenyl]methylideneamino]quinazolin-4-one
CID 126306321
2-[2-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-4-chlorophenoxy]acetonitrile
CID 126298406
4-[[4-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2,6-dichlorophenoxy]methyl]benzoic acid
CID 126294424
2-[1-[[2-(5-chloro-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]naphthalen-2-yl]oxy-N-(2-fluorophenyl)acetamide
CID 126303481
3-[[2-[(2-fluorophenyl)methoxy]naphthalen-1-yl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126301616

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one (CID 126302818) is 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one is O=c1c2ccccc2nc(-c2cc3ccccc3o2)n1N=Cc1c(OCc2ccc(Cl)cc2)ccc2ccccc12.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one?
The InChIKey is URBLNKGCYQCBDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H22ClN3O3/c35-25-16-13-22(14-17-25)21-40-31-18-15-23-7-1-3-9-26(23)28(31)20-36-38-33(32-19-24-8-2-6-12-30(24)41-32)37-29-11-5-4-10-27(29)34(38)39/h1-20H,21H2.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one?
2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one has a molecular weight of 556.02 g/mol, XLogP of 8.08, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126302818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).