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

C32H25ClN4O3 — CID 126309650

IUPAC2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
SMILESCN(C)c1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(OCc2ccccc2Cl)c1
InChIInChI=1S/C32H25ClN4O3/c1-36(2)24-16-15-22(29(18-24)39-20-23-10-3-6-12-26(23)33)19-34-37-31(30-17-21-9-4-8-14-28(21)40-30)35-27-13-7-5-11-25(27)32(37)38/h3-19H,20H2,1-2H3
InChIKeyNEDIMEVXQGVGLK-UHFFFAOYSA-N
MW549.03 g/mol
LogP6.99
Rot. Bonds7

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

2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one (PubChem CID 126309650) has the molecular formula C32H25ClN4O3 and a molecular weight of 549.03 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
PubChem CID126309650
Molecular FormulaC32H25ClN4O3
Molecular Weight549.03 g/mol
Exact Mass548.16
IUPAC Name2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one
SMILESCN(C)c1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(OCc2ccccc2Cl)c1
InChIInChI=1S/C32H25ClN4O3/c1-36(2)24-16-15-22(29(18-24)39-20-23-10-3-6-12-26(23)33)19-34-37-31(30-17-21-9-4-8-14-28(21)40-30)35-27-13-7-5-11-25(27)32(37)38/h3-19H,20H2,1-2H3
InChIKeyNEDIMEVXQGVGLK-UHFFFAOYSA-N
XLogP6.99
TPSA72.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.03
LogP ≤ 56.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one with MolForge

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Related Compounds

3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]-2-(4-methoxy-1-benzofuran-2-yl)quinazolin-4-one
CID 126305548
2-(1-benzofuran-2-yl)-3-[[2-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126305013
2-(5-chloro-1-benzofuran-2-yl)-3-[[4-(dimethylamino)-2-(2,2-dimethylpropoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126300703
2-(5-bromo-1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126308812
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-bromo-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126309225
2-[[5-(dimethylamino)-2-[[2-(4-methoxy-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]phenoxy]methyl]benzonitrile
CID 126283215
ethyl (2R)-2-[2-[[2-(1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-5-(dimethylamino)phenoxy]propanoate
CID 126299903
2-(1-benzofuran-2-yl)-3-[[3,5-dichloro-4-(naphthalen-1-ylmethoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126287877
2-(5-bromo-1-benzofuran-2-yl)-3-[[5-chloro-2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126313851
2-(1-benzofuran-2-yl)-3-[[2-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methylideneamino]quinazolin-4-one
CID 126310492
2-(1-benzofuran-2-yl)-3-[[4-(dimethylamino)-2-[(5-nitro-2-pyridinyl)oxy]phenyl]methylideneamino]quinazolin-4-one
CID 126294108
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 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one (CID 126309650) is 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one is CN(C)c1ccc(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c(OCc2ccccc2Cl)c1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one?
The InChIKey is NEDIMEVXQGVGLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25ClN4O3/c1-36(2)24-16-15-22(29(18-24)39-20-23-10-3-6-12-26(23)33)19-34-37-31(30-17-21-9-4-8-14-28(21)40-30)35-27-13-7-5-11-25(27)32(37)38/h3-19H,20H2,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one?
2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one has a molecular weight of 549.03 g/mol, XLogP of 6.99, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-benzofuran-2-yl)-3-[[2-[(2-chlorophenyl)methoxy]-4-(dimethylamino)phenyl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126309650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).