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

C20H20ClN3O5 — CID 3525347

IUPAC2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(Cl)cc21)NCC1CCCO1
InChIInChI=1S/C20H20ClN3O5/c21-13-5-6-16-17(9-13)23(12-18(25)22-10-14-3-1-7-28-14)20(27)24(19(16)26)11-15-4-2-8-29-15/h2,4-6,8-9,14H,1,3,7,10-12H2,(H,22,25)
InChIKeyDRDAOSOKAGVRAH-UHFFFAOYSA-N
MW417.85 g/mol
LogP1.75
Rot. Bonds6

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

2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (PubChem CID 3525347) has the molecular formula C20H20ClN3O5 and a molecular weight of 417.85 g/mol. Its IUPAC name is 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
PubChem CID3525347
Molecular FormulaC20H20ClN3O5
Molecular Weight417.85 g/mol
Exact Mass417.11
IUPAC Name2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
SMILESO=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(Cl)cc21)NCC1CCCO1
InChIInChI=1S/C20H20ClN3O5/c21-13-5-6-16-17(9-13)23(12-18(25)22-10-14-3-1-7-28-14)20(27)24(19(16)26)11-15-4-2-8-29-15/h2,4-6,8-9,14H,1,3,7,10-12H2,(H,22,25)
InChIKeyDRDAOSOKAGVRAH-UHFFFAOYSA-N
XLogP1.75
TPSA95.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.85
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-[(4-chlorophenyl)methyl]-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 46925423
7-chloro-1-(3,3-dimethyl-2-oxobutyl)-3-(furan-2-ylmethyl)quinazoline-2,4-dione
CID 3331192
2-[6-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 4614899
N-(4-chlorophenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429609
N-[(2-chlorophenyl)methyl]-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502114
7-chloro-3-(furan-2-ylmethyl)-2-(oxolan-2-ylmethylsulfanyl)quinazolin-4-one
CID 17392958
2-(6-benzyl-5,7-dioxo-[1,2]thiazolo[4,3-d]pyrimidin-4-yl)-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 95098159
2-[6-ethyl-3-(furan-2-ylmethyl)-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanyl-N-[[(2S)-oxolan-2-yl]methyl]acetamide
CID 41300624
(2S)-1-(furan-2-ylmethyl)-5-oxo-N-[[(2S)-oxolan-2-yl]methyl]pyrrolidine-2-carboxamide
CID 95738982
2-[7-chloro-3-(furan-2-ylmethyl)-4-oxoquinazolin-2-yl]sulfanyl-N-(cyclopropylmethyl)acetamide
CID 46526722
1-(furan-2-ylmethyl)-2,5-dimethyl-N-[[(2R)-oxolan-2-yl]methyl]pyrrole-3-carboxamide
CID 94175396
N-(3-chloro-4-methylphenyl)-2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]acetamide
CID 6502149

Frequently Asked Questions

What is the IUPAC name of 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The IUPAC name of 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide (CID 3525347) is 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is O=C(Cn1c(=O)n(Cc2ccco2)c(=O)c2ccc(Cl)cc21)NCC1CCCO1.
What is the InChIKey of 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
The InChIKey is DRDAOSOKAGVRAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O5/c21-13-5-6-16-17(9-13)23(12-18(25)22-10-14-3-1-7-28-14)20(27)24(19(16)26)11-15-4-2-8-29-15/h2,4-6,8-9,14H,1,3,7,10-12H2,(H,22,25).
What are the key properties of 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide?
2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide has a molecular weight of 417.85 g/mol, XLogP of 1.75, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-chloro-3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-(oxolan-2-ylmethyl)acetamide is sourced from PubChem (CID 3525347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).