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

C23H21N3O5 — CID 71959422

IUPACN-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)NCc2ccco2)c1=O
InChIInChI=1S/C23H21N3O5/c1-15-9-10-18-17(12-15)22(28)26(19-7-3-4-8-20(19)30-2)23(29)25(18)14-21(27)24-13-16-6-5-11-31-16/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyWMBXIWNSVBJTME-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.38
Rot. Bonds6

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

N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide (PubChem CID 71959422) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
PubChem CID71959422
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide
SMILESCOc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)NCc2ccco2)c1=O
InChIInChI=1S/C23H21N3O5/c1-15-9-10-18-17(12-15)22(28)26(19-7-3-4-8-20(19)30-2)23(29)25(18)14-21(27)24-13-16-6-5-11-31-16/h3-12H,13-14H2,1-2H3,(H,24,27)
InChIKeyWMBXIWNSVBJTME-UHFFFAOYSA-N
XLogP2.38
TPSA95.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(2,3-dimethylphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyethyl)acetamide
CID 71954955
2-[3-(2-chlorophenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 71956406
2-(3-benzyl-5,8-dimethyl-2,4-dioxopyrimido[5,4-b]indol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 22424070
2-[2,4-dioxo-3-(3,4,5-trimethoxyphenyl)quinazolin-1-yl]-N-[(4-methylphenyl)methyl]acetamide
CID 6621475
2-[3-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 11957189
2-[3-(2,4-dimethoxyphenyl)-2,4-dioxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 15992948
2-(3-benzyl-8-methyl-4-oxopyrimido[5,4-b]indol-5-yl)-N-(furan-2-ylmethyl)acetamide
CID 27371851
4-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-[(4-methylphenyl)methyl]butanamide
CID 3243629
3-[1-[2-(2,6-dimethylanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(furan-2-ylmethyl)propanamide
CID 46506259
2-[3-(2,4-difluorophenyl)-2,4-dioxothieno[3,2-d]pyrimidin-1-yl]-N-(furan-2-ylmethyl)acetamide
CID 22428088
5-[1-[2-(furan-2-ylmethylamino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]-N-(4-methylphenyl)pentanamide
CID 50762811
2-[3-(furan-2-ylmethyl)-2,4-dioxoquinazolin-1-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 6502140

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide (CID 71959422) is N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide is COc1ccccc1-n1c(=O)c2cc(C)ccc2n(CC(=O)NCc2ccco2)c1=O.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide?
The InChIKey is WMBXIWNSVBJTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-15-9-10-18-17(12-15)22(28)26(19-7-3-4-8-20(19)30-2)23(29)25(18)14-21(27)24-13-16-6-5-11-31-16/h3-12H,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide?
N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide has a molecular weight of 419.44 g/mol, XLogP of 2.38, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[3-(2-methoxyphenyl)-6-methyl-2,4-dioxoquinazolin-1-yl]acetamide is sourced from PubChem (CID 71959422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).