2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one

C27H20N4O2 — CID 126291766

IUPAC2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one
SMILESCc1c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc2n1C
InChIInChI=1S/C27H20N4O2/c1-17-21(19-10-5-7-13-23(19)30(17)2)16-28-31-26(25-15-18-9-3-8-14-24(18)33-25)29-22-12-6-4-11-20(22)27(31)32/h3-16H,1-2H3
InChIKeyWHVKJTXQCONXPG-UHFFFAOYSA-N
MW432.48 g/mol
LogP5.49
Rot. Bonds3

About 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one

2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one (PubChem CID 126291766) has the molecular formula C27H20N4O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one
PubChem CID126291766
Molecular FormulaC27H20N4O2
Molecular Weight432.48 g/mol
Exact Mass432.16
IUPAC Name2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one
SMILESCc1c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc2n1C
InChIInChI=1S/C27H20N4O2/c1-17-21(19-10-5-7-13-23(19)30(17)2)16-28-31-26(25-15-18-9-3-8-14-24(18)33-25)29-22-12-6-4-11-20(22)27(31)32/h3-16H,1-2H3
InChIKeyWHVKJTXQCONXPG-UHFFFAOYSA-N
XLogP5.49
TPSA65.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.48
LogP ≤ 55.49
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-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
CID 126306603
2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 126311906
2-(1-benzofuran-2-yl)-3-[[2,5-dimethyl-1-(2,4,6-trimethylphenyl)pyrrol-3-yl]methylideneamino]quinazolin-4-one
CID 126283358
(2S)-2-[3-[[2-(5-chloro-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]propanoic acid
CID 126291054
2-(1-benzofuran-2-yl)-3-[(4-methoxy-2-methylphenyl)methylideneamino]quinazolin-4-one
CID 126293380
2-(1-benzofuran-2-yl)-3-[[1-[(2S)-butan-2-yl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126302856
2-(1-benzofuran-2-yl)-3-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]quinazolin-4-one
CID 137125802
2-(1-benzofuran-2-yl)-3-[[1-(3-methylphenyl)pyrrol-2-yl]methylideneamino]quinazolin-4-one
CID 126286768
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-(1-benzofuran-2-yl)-3-[[1-(3-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]quinazolin-4-one
CID 126310859
methyl 2-[3-[[2-(5-bromo-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetate
CID 126285075

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one (CID 126291766) is 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one is Cc1c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc2n1C.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one?
The InChIKey is WHVKJTXQCONXPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20N4O2/c1-17-21(19-10-5-7-13-23(19)30(17)2)16-28-31-26(25-15-18-9-3-8-14-24(18)33-25)29-22-12-6-4-11-20(22)27(31)32/h3-16H,1-2H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one?
2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one has a molecular weight of 432.48 g/mol, XLogP of 5.49, 3 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-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126291766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).