3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one

C23H14ClN3O2 — CID 126310077

IUPAC3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccccc1
InChIInChI=1S/C23H14ClN3O2/c24-17-10-11-20-16(12-17)13-21(29-20)22-26-19-9-5-4-8-18(19)23(28)27(22)25-14-15-6-2-1-3-7-15/h1-14H
InChIKeyINNVONPLAFYOIS-UHFFFAOYSA-N
MW399.84 g/mol
LogP5.35
Rot. Bonds3

About 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one

3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one (PubChem CID 126310077) has the molecular formula C23H14ClN3O2 and a molecular weight of 399.84 g/mol. Its IUPAC name is 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one.

Molecular Properties

Compound Name3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
PubChem CID126310077
Molecular FormulaC23H14ClN3O2
Molecular Weight399.84 g/mol
Exact Mass399.08
IUPAC Name3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
SMILESO=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccccc1
InChIInChI=1S/C23H14ClN3O2/c24-17-10-11-20-16(12-17)13-21(29-20)22-26-19-9-5-4-8-18(19)23(28)27(22)25-14-15-6-2-1-3-7-15/h1-14H
InChIKeyINNVONPLAFYOIS-UHFFFAOYSA-N
XLogP5.35
TPSA60.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.84
LogP ≤ 55.35
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

2-(5-chloro-1-benzofuran-2-yl)-3-[(3-methoxyphenyl)methylideneamino]quinazolin-4-one
CID 126302330
2-(5-chloro-1-benzofuran-2-yl)-3-[(4-morpholin-4-ylphenyl)methylideneamino]quinazolin-4-one
CID 126299471
2-(5-chloro-1-benzofuran-2-yl)-3-[[4-(diethylamino)phenyl]methylideneamino]quinazolin-4-one
CID 126308472
2-(5-chloro-1-benzofuran-2-yl)-3-(thiophen-2-ylmethylideneamino)quinazolin-4-one
CID 126300139
3-[(3-bromo-4-hydroxyphenyl)methylideneamino]-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
CID 137036436
2-(5-chloro-1-benzofuran-2-yl)-3-(2,3-dihydro-1,4-benzodioxin-6-ylmethylideneamino)quinazolin-4-one
CID 126289730
3-[(4-bromothiophen-2-yl)methylideneamino]-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
CID 126287660
2-(5-chloro-1-benzofuran-2-yl)-3-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126290897
2-(5-chloro-1-benzofuran-2-yl)-3-[[4-[(4-methylphenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126289842
2-(5-chloro-1-benzofuran-2-yl)-3-[[3-(2,2-dimethylpropoxy)phenyl]methylideneamino]quinazolin-4-one
CID 126294151
3-[(3-bromo-4-methoxyphenyl)methylideneamino]-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one
CID 126296329
2-(5-chloro-1-benzofuran-2-yl)-3-[[3,5-dibromo-4-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]quinazolin-4-one
CID 126287368

Frequently Asked Questions

What is the IUPAC name of 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one?
The IUPAC name of 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one (CID 126310077) is 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one.
What is the SMILES notation for 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one?
The canonical SMILES for 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one is O=c1c2ccccc2nc(-c2cc3cc(Cl)ccc3o2)n1N=Cc1ccccc1.
What is the InChIKey of 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one?
The InChIKey is INNVONPLAFYOIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14ClN3O2/c24-17-10-11-20-16(12-17)13-21(29-20)22-26-19-9-5-4-8-18(19)23(28)27(22)25-14-15-6-2-1-3-7-15/h1-14H.
What are the key properties of 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one?
3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one has a molecular weight of 399.84 g/mol, XLogP of 5.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzylideneamino)-2-(5-chloro-1-benzofuran-2-yl)quinazolin-4-one is sourced from PubChem (CID 126310077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).