4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide

C24H20FN3O5 — CID 50793209

IUPAC4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
SMILESCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)Nc4ccc(F)cc4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C24H20FN3O5/c1-32-20-11-18-19(12-21(20)33-2)27-24(31)28(23(18)30)13-14-3-5-15(6-4-14)22(29)26-17-9-7-16(25)8-10-17/h3-12H,13H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyUVYVNMGOMAUUCH-UHFFFAOYSA-N
MW449.44 g/mol
LogP3.15
Rot. Bonds6

About 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide

4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide (PubChem CID 50793209) has the molecular formula C24H20FN3O5 and a molecular weight of 449.44 g/mol. Its IUPAC name is 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide.

Molecular Properties

Compound Name4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
PubChem CID50793209
Molecular FormulaC24H20FN3O5
Molecular Weight449.44 g/mol
Exact Mass449.14
IUPAC Name4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide
SMILESCOc1cc2[nH]c(=O)n(Cc3ccc(C(=O)Nc4ccc(F)cc4)cc3)c(=O)c2cc1OC
InChIInChI=1S/C24H20FN3O5/c1-32-20-11-18-19(12-21(20)33-2)27-24(31)28(23(18)30)13-14-3-5-15(6-4-14)22(29)26-17-9-7-16(25)8-10-17/h3-12H,13H2,1-2H3,(H,26,29)(H,27,31)
InChIKeyUVYVNMGOMAUUCH-UHFFFAOYSA-N
XLogP3.15
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.44
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 50793239
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(1-phenylethyl)benzamide
CID 50793231
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 22423329
N-[1-(1-adamantyl)ethyl]-4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 50793260
N-(3,4-dimethoxyphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 4215319
N-[3-[(4-fluorophenyl)methyl]-2-methyl-4-oxoquinazolin-6-yl]-4-methoxybenzamide
CID 43813136
4-[[6,7-dimethoxy-1-[(4-methylphenyl)methyl]-2,4-dioxoquinazolin-3-yl]methyl]-N-phenylbenzamide
CID 50793351
N-cyclohexyl-4-[(6,7-diethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]benzamide
CID 4103926
methyl 3-[(4-methylsulfanylphenyl)methyl]-2,4-dioxo-1H-quinazoline-7-carboxylate
CID 166180675
N-(4-chlorophenyl)-3-ethyl-2,4-dioxo-1H-quinazoline-7-carboxamide
CID 936828
N-(3-fluoro-4-methylphenyl)-3-[(4-methoxyphenyl)methyl]-4-oxo-2-sulfanylidene-1H-quinazoline-7-carboxamide
CID 3542921
4-[(4-fluorobenzoyl)amino]-N-(2-methoxyphenyl)benzamide
CID 2677066

Frequently Asked Questions

What is the IUPAC name of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide?
The IUPAC name of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide (CID 50793209) is 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide.
What is the SMILES notation for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide?
The canonical SMILES for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide is COc1cc2[nH]c(=O)n(Cc3ccc(C(=O)Nc4ccc(F)cc4)cc3)c(=O)c2cc1OC.
What is the InChIKey of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide?
The InChIKey is UVYVNMGOMAUUCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN3O5/c1-32-20-11-18-19(12-21(20)33-2)27-24(31)28(23(18)30)13-14-3-5-15(6-4-14)22(29)26-17-9-7-16(25)8-10-17/h3-12H,13H2,1-2H3,(H,26,29)(H,27,31).
What are the key properties of 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide?
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide has a molecular weight of 449.44 g/mol, XLogP of 3.15, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-fluorophenyl)benzamide is sourced from PubChem (CID 50793209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).