3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione

C22H29N5O4 — CID 70044780

IUPAC3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOc1cc2ncnc(N3CCC(N4C(=O)NC(C(C)C)C4=O)CC3C)c2cc1OC
InChIInChI=1S/C22H29N5O4/c1-12(2)19-21(28)27(22(29)25-19)14-6-7-26(13(3)8-14)20-15-9-17(30-4)18(31-5)10-16(15)23-11-24-20/h9-14,19H,6-8H2,1-5H3,(H,25,29)
InChIKeyGXSLZJOSCWZGDY-UHFFFAOYSA-N
MW427.51 g/mol
LogP2.58
Rot. Bonds5

About 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione

3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione (PubChem CID 70044780) has the molecular formula C22H29N5O4 and a molecular weight of 427.51 g/mol. Its IUPAC name is 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
PubChem CID70044780
Molecular FormulaC22H29N5O4
Molecular Weight427.51 g/mol
Exact Mass427.22
IUPAC Name3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione
SMILESCOc1cc2ncnc(N3CCC(N4C(=O)NC(C(C)C)C4=O)CC3C)c2cc1OC
InChIInChI=1S/C22H29N5O4/c1-12(2)19-21(28)27(22(29)25-19)14-6-7-26(13(3)8-14)20-15-9-17(30-4)18(31-5)10-16(15)23-11-24-20/h9-14,19H,6-8H2,1-5H3,(H,25,29)
InChIKeyGXSLZJOSCWZGDY-UHFFFAOYSA-N
XLogP2.58
TPSA96.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.51
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

Analyze 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione 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

3-[2-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]ethyl]-5-propan-2-yl-2-sulfanylimidazolidin-4-one
CID 57277221
1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-one
CID 14738823
1-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]imidazolidine-2-thione
CID 14738824
4-(2,3-dimethylpyrrolidin-1-yl)-7-fluoro-6-methoxyquinazoline
CID 133492499
cyclopropyl-[4-(6,7-dimethoxyquinazolin-4-yl)piperazin-1-yl]methanone
CID 171691630
1-[1-(7-methoxy-6-methylsulfinylquinazolin-4-yl)piperidin-4-yl]imidazolidin-2-one
CID 14668415
3-[1-(6,7-dimethoxyquinazolin-4-yl)piperidin-4-yl]-1H-quinazoline-2,4-dione
CID 14668436
6,7-dimethoxy-4-[3-(triazol-2-yl)azetidin-1-yl]quinazoline
CID 165435774
1-(6,7-dimethoxyquinazolin-4-yl)pyrrolidin-3-ol
CID 21487876
6,7-dimethoxy-4-(4-methylpiperazin-1-yl)quinazoline
CID 2808928
4-(4-cyclopropylsulfonyl-1,4-diazepan-1-yl)-6,7-dimethoxyquinazoline
CID 154582894
6,7-dimethoxy-4-[4-[methyl(sulfamoyl)amino]piperidin-1-yl]quinazoline
CID 167049154

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione (CID 70044780) is 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione is COc1cc2ncnc(N3CCC(N4C(=O)NC(C(C)C)C4=O)CC3C)c2cc1OC.
What is the InChIKey of 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
The InChIKey is GXSLZJOSCWZGDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O4/c1-12(2)19-21(28)27(22(29)25-19)14-6-7-26(13(3)8-14)20-15-9-17(30-4)18(31-5)10-16(15)23-11-24-20/h9-14,19H,6-8H2,1-5H3,(H,25,29).
What are the key properties of 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione?
3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione has a molecular weight of 427.51 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6,7-dimethoxyquinazolin-4-yl)-2-methylpiperidin-4-yl]-5-propan-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 70044780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).