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

C15H12ClN3O4 — CID 4614899

IUPAC2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H12ClN3O4/c16-9-3-4-12-11(6-9)14(21)19(7-10-2-1-5-23-10)15(22)18(12)8-13(17)20/h1-6H,7-8H2,(H2,17,20)
InChIKeyZULOVSXBZKJCSB-UHFFFAOYSA-N
MW333.73 g/mol
LogP0.94
Rot. Bonds4

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

2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 4614899) has the molecular formula C15H12ClN3O4 and a molecular weight of 333.73 g/mol. Its IUPAC name is 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound Name2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID4614899
Molecular FormulaC15H12ClN3O4
Molecular Weight333.73 g/mol
Exact Mass333.05
IUPAC Name2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
SMILESNC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cc(Cl)ccc21
InChIInChI=1S/C15H12ClN3O4/c16-9-3-4-12-11(6-9)14(21)19(7-10-2-1-5-23-10)15(22)18(12)8-13(17)20/h1-6H,7-8H2,(H2,17,20)
InChIKeyZULOVSXBZKJCSB-UHFFFAOYSA-N
XLogP0.94
TPSA100.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.73
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 3331192
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429609
2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 3525347
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
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-dioxothieno[3,2-d]pyrimidin-1-yl]acetamide
CID 6486111
1-[(2-chlorophenyl)methyl]-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 4618338
N-(3-chloro-4-fluorophenyl)-2-[3-(furan-2-ylmethyl)-6,7-dimethoxy-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429918
(2S)-2-[6-(4-chlorophenyl)sulfonyl-1-(furan-2-ylmethyl)-2,4-dioxoquinazolin-3-yl]butanedioic acid
CID 59814773
2-[1-(furan-2-ylmethyl)-2,4-dioxo-6-(4-phenylphenoxy)quinazolin-3-yl]acetic acid
CID 59814760
2-[3-(furan-2-ylmethyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]acetamide
CID 18829519
1-[(3-chlorophenyl)methyl]-3-(furan-2-ylmethyl)thieno[3,2-d]pyrimidine-2,4-dione
CID 6486152

Frequently Asked Questions

What is the IUPAC name of 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide (CID 4614899) is 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide is NC(=O)Cn1c(=O)n(Cc2ccco2)c(=O)c2cc(Cl)ccc21.
What is the InChIKey of 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is ZULOVSXBZKJCSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O4/c16-9-3-4-12-11(6-9)14(21)19(7-10-2-1-5-23-10)15(22)18(12)8-13(17)20/h1-6H,7-8H2,(H2,17,20).
What are the key properties of 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide?
2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 333.73 g/mol, XLogP of 0.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 4614899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).