2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide

C25H29N3O8 — CID 15989579

IUPAC2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3cc(OC)c(OC)cc32)cc(OC)c1
InChIInChI=1S/C25H29N3O8/c1-32-17-8-15(9-18(10-17)33-2)26-23(29)14-27-20-12-22(35-4)21(34-3)11-19(20)24(30)28(25(27)31)13-16-6-5-7-36-16/h8-12,16H,5-7,13-14H2,1-4H3,(H,26,29)
InChIKeyCXYDFTKAGIMKKB-UHFFFAOYSA-N
MW499.52 g/mol
LogP2.02
Rot. Bonds9

About 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide

2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide (PubChem CID 15989579) has the molecular formula C25H29N3O8 and a molecular weight of 499.52 g/mol. Its IUPAC name is 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
PubChem CID15989579
Molecular FormulaC25H29N3O8
Molecular Weight499.52 g/mol
Exact Mass499.20
IUPAC Name2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
SMILESCOc1cc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3cc(OC)c(OC)cc32)cc(OC)c1
InChIInChI=1S/C25H29N3O8/c1-32-17-8-15(9-18(10-17)33-2)26-23(29)14-27-20-12-22(35-4)21(34-3)11-19(20)24(30)28(25(27)31)13-16-6-5-7-36-16/h8-12,16H,5-7,13-14H2,1-4H3,(H,26,29)
InChIKeyCXYDFTKAGIMKKB-UHFFFAOYSA-N
XLogP2.02
TPSA119.25 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.52
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Related Compounds

6,7-dimethoxy-1-[2-(3-methoxyphenyl)-2-oxoethyl]-3-(oxolan-2-ylmethyl)quinazoline-2,4-dione
CID 22429920
1-[2-(3-chloro-4-ethoxyphenyl)-2-oxoethyl]-6,7-dimethoxy-3-[[(2S)-oxolan-2-yl]methyl]quinazoline-2,4-dione
CID 92656090
N-cyclopentyl-3-[6,7-dimethoxy-1-[2-(4-methoxyanilino)-2-oxoethyl]-2,4-dioxoquinazolin-3-yl]propanamide
CID 46506250
2-[4,6-dioxo-5-[[(2S)-oxolan-2-yl]methyl]-8-thia-3,5,10-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),10,12-tetraen-3-yl]-N-(3-methoxyphenyl)acetamide
CID 95071726
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
N-(3,5-dimethoxyphenyl)-2-[[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]-[1]benzofuro[3,2-d]pyrimidin-2-yl]sulfanyl]acetamide
CID 41197423
N-[3-amino-4-(2-methoxyphenyl)-1-oxo-2-(oxolan-2-ylmethyl)isoquinolin-7-yl]propanamide
CID 42879541
2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-[(4-fluorophenyl)methyl]acetamide
CID 110278215
2-(oxolan-2-ylmethylamino)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 108994315
2-[(4aS,8aS)-2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl]-N-(3,5-dimethoxyphenyl)acetamide
CID 95145502
N-(3-methoxyphenyl)-2-[4-oxo-3-[[(2S)-oxolan-2-yl]methyl]quinazolin-2-yl]sulfanylacetamide
CID 2275328
4-[1-[2-(4-fluoroanilino)-2-oxoethyl]-6,7-dimethoxy-2,4-dioxoquinazolin-3-yl]-N-(2-methoxyethyl)butanamide
CID 15988023

Frequently Asked Questions

What is the IUPAC name of 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide?
The IUPAC name of 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide (CID 15989579) is 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide.
What is the SMILES notation for 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide?
The canonical SMILES for 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide is COc1cc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3cc(OC)c(OC)cc32)cc(OC)c1.
What is the InChIKey of 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide?
The InChIKey is CXYDFTKAGIMKKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O8/c1-32-17-8-15(9-18(10-17)33-2)26-23(29)14-27-20-12-22(35-4)21(34-3)11-19(20)24(30)28(25(27)31)13-16-6-5-7-36-16/h8-12,16H,5-7,13-14H2,1-4H3,(H,26,29).
What are the key properties of 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide?
2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide has a molecular weight of 499.52 g/mol, XLogP of 2.02, 9 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6,7-dimethoxy-2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide is sourced from PubChem (CID 15989579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).