2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one

C33H23FN4O2 — CID 126306603

IUPAC2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
SMILESCc1c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C33H23FN4O2/c1-21-27(25-9-4-6-12-29(25)37(21)20-22-14-16-24(34)17-15-22)19-35-38-32(31-18-23-8-2-7-13-30(23)40-31)36-28-11-5-3-10-26(28)33(38)39/h2-19H,20H2,1H3
InChIKeyWSJAVWQGAGZIAW-UHFFFAOYSA-N
MW526.57 g/mol
LogP7.14
Rot. Bonds5

About 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one

2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one (PubChem CID 126306603) has the molecular formula C33H23FN4O2 and a molecular weight of 526.57 g/mol. Its IUPAC name is 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one.

Molecular Properties

Compound Name2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
PubChem CID126306603
Molecular FormulaC33H23FN4O2
Molecular Weight526.57 g/mol
Exact Mass526.18
IUPAC Name2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one
SMILESCc1c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc2n1Cc1ccc(F)cc1
InChIInChI=1S/C33H23FN4O2/c1-21-27(25-9-4-6-12-29(25)37(21)20-22-14-16-24(34)17-15-22)19-35-38-32(31-18-23-8-2-7-13-30(23)40-31)36-28-11-5-3-10-26(28)33(38)39/h2-19H,20H2,1H3
InChIKeyWSJAVWQGAGZIAW-UHFFFAOYSA-N
XLogP7.14
TPSA65.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.57
LogP ≤ 57.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one with MolForge

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Related Compounds

2-(1-benzofuran-2-yl)-3-[(1,2-dimethylindol-3-yl)methylideneamino]quinazolin-4-one
CID 126291766
4-[[3-[[2-(5-chloro-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]methyl]benzoic acid
CID 126301800
2-(4-methoxy-1-benzofuran-2-yl)-3-[(2-methyl-1-prop-2-enylindol-3-yl)methylideneamino]quinazolin-4-one
CID 126314881
2-(1-benzofuran-2-yl)-3-[[4-[(4-fluorophenyl)methoxy]-3-iodo-5-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126294135
methyl 2-[3-[[2-(5-bromo-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]acetate
CID 126285075
2-(1-benzofuran-2-yl)-3-[(5-methylfuran-2-yl)methylideneamino]quinazolin-4-one
CID 126311906
2-(1-benzofuran-2-yl)-3-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylideneamino]quinazolin-4-one
CID 126301697
2-(1-benzofuran-2-yl)-3-[[2-[(4-chlorophenyl)methoxy]naphthalen-1-yl]methylideneamino]quinazolin-4-one
CID 126302818
2-(1-benzofuran-2-yl)-3-[[1-[(4-nitrophenyl)methyl]indol-3-yl]methylideneamino]quinazolin-4-one
CID 126303432
2-[3-[[2-(5-bromo-1-benzofuran-2-yl)-4-oxoquinazolin-3-yl]iminomethyl]-2-methylindol-1-yl]-N-(2-methylphenyl)acetamide
CID 126293457
3-[[1-[(2-chlorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]-2-phenylquinazolin-4-one
CID 126405597
3-[[2-methyl-1-[(3-methylphenyl)methyl]indol-3-yl]methylideneamino]-2-[3-(trifluoromethyl)phenyl]quinazolin-4-one
CID 126303888

Frequently Asked Questions

What is the IUPAC name of 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one?
The IUPAC name of 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one (CID 126306603) is 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one.
What is the SMILES notation for 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one?
The canonical SMILES for 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one is Cc1c(C=Nn2c(-c3cc4ccccc4o3)nc3ccccc3c2=O)c2ccccc2n1Cc1ccc(F)cc1.
What is the InChIKey of 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one?
The InChIKey is WSJAVWQGAGZIAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H23FN4O2/c1-21-27(25-9-4-6-12-29(25)37(21)20-22-14-16-24(34)17-15-22)19-35-38-32(31-18-23-8-2-7-13-30(23)40-31)36-28-11-5-3-10-26(28)33(38)39/h2-19H,20H2,1H3.
What are the key properties of 2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one?
2-(1-benzofuran-2-yl)-3-[[1-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one has a molecular weight of 526.57 g/mol, XLogP of 7.14, 5 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-[(4-fluorophenyl)methyl]-2-methylindol-3-yl]methylideneamino]quinazolin-4-one is sourced from PubChem (CID 126306603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).