3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide

C22H25N3O5 — CID 46506321

IUPAC3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCOc1cc2[nH]c(=O)n(CCC(=O)NCCc3ccc(C)cc3)c(=O)c2cc1OC
InChIInChI=1S/C22H25N3O5/c1-14-4-6-15(7-5-14)8-10-23-20(26)9-11-25-21(27)16-12-18(29-2)19(30-3)13-17(16)24-22(25)28/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyMDSCDQNNPJVIHR-UHFFFAOYSA-N
MW411.46 g/mol
LogP1.76
Rot. Bonds8

About 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide

3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide (PubChem CID 46506321) has the molecular formula C22H25N3O5 and a molecular weight of 411.46 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
PubChem CID46506321
Molecular FormulaC22H25N3O5
Molecular Weight411.46 g/mol
Exact Mass411.18
IUPAC Name3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide
SMILESCOc1cc2[nH]c(=O)n(CCC(=O)NCCc3ccc(C)cc3)c(=O)c2cc1OC
InChIInChI=1S/C22H25N3O5/c1-14-4-6-15(7-5-14)8-10-23-20(26)9-11-25-21(27)16-12-18(29-2)19(30-3)13-17(16)24-22(25)28/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)(H,24,28)
InChIKeyMDSCDQNNPJVIHR-UHFFFAOYSA-N
XLogP1.76
TPSA102.42 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide 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

6-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)hexanamide
CID 15988281
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(2,4-dioxo-1H-quinazolin-3-yl)propanamide
CID 119103707
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 15993854
N-butyl-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 22423308
4-(2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]butanamide
CID 4103924
4-[(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)methyl]-N-(4-methylphenyl)benzamide
CID 50793239
3-(2,4-dioxo-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 4068208
3-(6,7-diethoxy-4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-(2-phenylethyl)propanamide
CID 3496295
N-[(3-chlorophenyl)methyl]-4-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)butanamide
CID 46506231
3-(7,8-dimethoxy-4-oxo-5H-pyrimido[5,4-b]indol-3-yl)-N-(2-phenylethyl)propanamide
CID 53028239
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-(8-oxo-6-sulfanylidene-5H-[1,3]dioxolo[4,5-g]quinazolin-7-yl)propanamide
CID 3574267
6-(2,4-dioxo-1H-thieno[3,2-d]pyrimidin-3-yl)-N-[2-(4-methylphenyl)ethyl]hexanamide
CID 22423579

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The IUPAC name of 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide (CID 46506321) is 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide is COc1cc2[nH]c(=O)n(CCC(=O)NCCc3ccc(C)cc3)c(=O)c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide?
The InChIKey is MDSCDQNNPJVIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O5/c1-14-4-6-15(7-5-14)8-10-23-20(26)9-11-25-21(27)16-12-18(29-2)19(30-3)13-17(16)24-22(25)28/h4-7,12-13H,8-11H2,1-3H3,(H,23,26)(H,24,28).
What are the key properties of 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide?
3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide has a molecular weight of 411.46 g/mol, XLogP of 1.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-2,4-dioxo-1H-quinazolin-3-yl)-N-[2-(4-methylphenyl)ethyl]propanamide is sourced from PubChem (CID 46506321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).