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

C23H25N3O6 — CID 15989258

IUPACN-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H25N3O6/c1-30-15-9-10-18(20(12-15)31-2)24-21(27)14-25-19-8-4-3-7-17(19)22(28)26(23(25)29)13-16-6-5-11-32-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,24,27)
InChIKeyQUXUWFPYKBTPME-UHFFFAOYSA-N
MW439.47 g/mol
LogP2.00
Rot. Bonds7

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

N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide (PubChem CID 15989258) has the molecular formula C23H25N3O6 and a molecular weight of 439.47 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide
PubChem CID15989258
Molecular FormulaC23H25N3O6
Molecular Weight439.47 g/mol
Exact Mass439.17
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3ccccc32)c(OC)c1
InChIInChI=1S/C23H25N3O6/c1-30-15-9-10-18(20(12-15)31-2)24-21(27)14-25-19-8-4-3-7-17(19)22(28)26(23(25)29)13-16-6-5-11-32-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,24,27)
InChIKeyQUXUWFPYKBTPME-UHFFFAOYSA-N
XLogP2.00
TPSA100.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.47
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide (CID 15989258) is N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(=O)n(CC3CCCO3)c(=O)c3ccccc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide?
The InChIKey is QUXUWFPYKBTPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O6/c1-30-15-9-10-18(20(12-15)31-2)24-21(27)14-25-19-8-4-3-7-17(19)22(28)26(23(25)29)13-16-6-5-11-32-16/h3-4,7-10,12,16H,5-6,11,13-14H2,1-2H3,(H,24,27).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide has a molecular weight of 439.47 g/mol, XLogP of 2.00, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(oxolan-2-ylmethyl)quinazolin-1-yl]acetamide is sourced from PubChem (CID 15989258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).