N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide

C22H25N3O5 — CID 71956380

IUPACN-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
SMILESCCCn1c(=O)c2cc(C)ccc2n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C22H25N3O5/c1-5-10-24-21(27)16-11-14(2)6-8-17(16)25(22(24)28)13-20(26)23-15-7-9-18(29-3)19(12-15)30-4/h6-9,11-12H,5,10,13H2,1-4H3,(H,23,26)
InChIKeyVQDBRJHPXAXNNN-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.54
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide (PubChem CID 71956380) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
PubChem CID71956380
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
SMILESCCCn1c(=O)c2cc(C)ccc2n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O
InChIInChI=1S/C22H25N3O5/c1-5-10-24-21(27)16-11-14(2)6-8-17(16)25(22(24)28)13-20(26)23-15-7-9-18(29-3)19(12-15)30-4/h6-9,11-12H,5,10,13H2,1-4H3,(H,23,26)
InChIKeyVQDBRJHPXAXNNN-UHFFFAOYSA-N
XLogP2.54
TPSA91.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(4-fluorophenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide
CID 71956354
N-(3,4-dimethoxyphenyl)-2-(1-methyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 4084799
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 38085602
2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22429988
N-(3,4-dimethoxyphenyl)-2-(3-ethyl-2,4-dioxothieno[3,2-d]pyrimidin-1-yl)acetamide
CID 6486215
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-(3,4,5-trimethoxyphenyl)acetamide
CID 6502231
6-methyl-1-(2-oxo-2-pyrrolidin-1-ylethyl)-3-propylquinazoline-2,4-dione
CID 71956368
N-(3-chloro-4-fluorophenyl)-2-[3-[2-(3,4-dimethoxyphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 22429987
2-[6,7-dimethoxy-2,4-dioxo-3-(2-phenylethyl)quinazolin-1-yl]-N-(4-methoxyphenyl)acetamide
CID 22423598
N-(3,4-dimethoxyphenyl)-2-[2,4-dioxo-3-(2-phenylethyl)pyrido[3,2-d]pyrimidin-1-yl]acetamide
CID 41240638
2-[1-[2-[(2,6-dichloro-4-pyridinyl)amino]-2-oxoethyl]-6-methyl-2,4-dioxoquinazolin-3-yl]acetic acid
CID 25164837
N-(4-methoxyphenyl)-2-[3-[2-(3-methylphenyl)ethyl]-2,4-dioxoquinazolin-1-yl]acetamide
CID 15995768

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide (CID 71956380) is N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide is CCCn1c(=O)c2cc(C)ccc2n(CC(=O)Nc2ccc(OC)c(OC)c2)c1=O.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
The InChIKey is VQDBRJHPXAXNNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-5-10-24-21(27)16-11-14(2)6-8-17(16)25(22(24)28)13-20(26)23-15-7-9-18(29-3)19(12-15)30-4/h6-9,11-12H,5,10,13H2,1-4H3,(H,23,26).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide has a molecular weight of 411.46 g/mol, XLogP of 2.54, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(6-methyl-2,4-dioxo-3-propylquinazolin-1-yl)acetamide is sourced from PubChem (CID 71956380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).