N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide

C23H19ClFN3O6 — CID 22429918

IUPACN-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC
InChIInChI=1S/C23H19ClFN3O6/c1-32-19-9-15-18(10-20(19)33-2)27(12-21(29)26-13-5-6-17(25)16(24)8-13)23(31)28(22(15)30)11-14-4-3-7-34-14/h3-10H,11-12H2,1-2H3,(H,26,29)
InChIKeyFMUBOJKLZRGKOO-UHFFFAOYSA-N
MW487.87 g/mol
LogP3.25
Rot. Bonds7

About N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide

N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 22429918) has the molecular formula C23H19ClFN3O6 and a molecular weight of 487.87 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID22429918
Molecular FormulaC23H19ClFN3O6
Molecular Weight487.87 g/mol
Exact Mass487.09
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC
InChIInChI=1S/C23H19ClFN3O6/c1-32-19-9-15-18(10-20(19)33-2)27(12-21(29)26-13-5-6-17(25)16(24)8-13)23(31)28(22(15)30)11-14-4-3-7-34-14/h3-10H,11-12H2,1-2H3,(H,26,29)
InChIKeyFMUBOJKLZRGKOO-UHFFFAOYSA-N
XLogP3.25
TPSA104.70 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.87
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429909
N-(3-chloro-4-methylphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502149
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429609
N-(3-chloro-4-fluorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429987
5-[1-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)pentanamide
CID 22429577
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486111
3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46506259
N-[4-(dimethylamino)phenyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 51363024
7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 3331192
2-[3-(3-chlorophenyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 17197939
2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 4614899
3-[1-[2-(4-chloro-2-fluoroanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyethyl)propanamide
CID 15988040

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide (CID 22429918) is N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide is COc1cc2c(=O)n(Cc3ccco3)c(=O)n(CC(=O)Nc3ccc(F)c(Cl)c3)c2cc1OC.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is FMUBOJKLZRGKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFN3O6/c1-32-19-9-15-18(10-20(19)33-2)27(12-21(29)26-13-5-6-17(25)16(24)8-13)23(31)28(22(15)30)11-14-4-3-7-34-14/h3-10H,11-12H2,1-2H3,(H,26,29).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide?
N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 487.87 g/mol, XLogP of 3.25, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 22429918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).