6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one

C26H34N4O2 — CID 23630816

IUPAC6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESCCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1
InChIInChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3
InChIKeyQTMCHHWITGOFQV-UHFFFAOYSA-N
MW434.58 g/mol
LogP4.31
Rot. Bonds8

About 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one

6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one (PubChem CID 23630816) has the molecular formula C26H34N4O2 and a molecular weight of 434.58 g/mol. Its IUPAC name is 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one.

Molecular Properties

Compound Name6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
PubChem CID23630816
Molecular FormulaC26H34N4O2
Molecular Weight434.58 g/mol
Exact Mass434.27
IUPAC Name6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one
SMILESCCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1
InChIInChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3
InChIKeyQTMCHHWITGOFQV-UHFFFAOYSA-N
XLogP4.31
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.58
LogP ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The IUPAC name of 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one (CID 23630816) is 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one.
What is the SMILES notation for 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The canonical SMILES for 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one is CCCCN(C)c1ccc2nc(-c3ccccc3OC)n(CC3CCCNC3)c(=O)c2c1.
What is the InChIKey of 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one?
The InChIKey is QTMCHHWITGOFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O2/c1-4-5-15-29(2)20-12-13-23-22(16-20)26(31)30(18-19-9-8-14-27-17-19)25(28-23)21-10-6-7-11-24(21)32-3/h6-7,10-13,16,19,27H,4-5,8-9,14-15,17-18H2,1-3H3.
What are the key properties of 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one?
6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one has a molecular weight of 434.58 g/mol, XLogP of 4.31, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[butyl(methyl)amino]-2-(2-methoxyphenyl)-3-(piperidin-3-ylmethyl)quinazolin-4-one is sourced from PubChem (CID 23630816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).