3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one

C27H36N4O2 — CID 166663765

IUPAC3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one
SMILESCCCC(C)CN1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2OCC)CC1
InChIInChI=1S/C27H36N4O2/c1-4-10-21(3)19-29-15-17-30(18-16-29)20-26-28-23-12-7-6-11-22(23)27(32)31(26)24-13-8-9-14-25(24)33-5-2/h6-9,11-14,21H,4-5,10,15-20H2,1-3H3
InChIKeyOUHIPVLXXULFJV-UHFFFAOYSA-N
MW448.61 g/mol
LogP4.34
Rot. Bonds9

About 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one

3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one (PubChem CID 166663765) has the molecular formula C27H36N4O2 and a molecular weight of 448.61 g/mol. Its IUPAC name is 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one.

Molecular Properties

Compound Name3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one
PubChem CID166663765
Molecular FormulaC27H36N4O2
Molecular Weight448.61 g/mol
Exact Mass448.28
IUPAC Name3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one
SMILESCCCC(C)CN1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2OCC)CC1
InChIInChI=1S/C27H36N4O2/c1-4-10-21(3)19-29-15-17-30(18-16-29)20-26-28-23-12-7-6-11-22(23)27(32)31(26)24-13-8-9-14-25(24)33-5-2/h6-9,11-14,21H,4-5,10,15-20H2,1-3H3
InChIKeyOUHIPVLXXULFJV-UHFFFAOYSA-N
XLogP4.34
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.61
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]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

Related Compounds

3-(2-butoxyphenyl)-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 178045110
tert-butyl 3-[[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]methyl]-3,6-diazabicyclo[3.1.1]heptane-6-carboxylate
CID 178045051
2-[[4-(4-chlorobenzoyl)piperazin-1-yl]methyl]-3-(2-propan-2-yloxyphenyl)quinazolin-4-one
CID 118161507
3-(2-ethoxyphenyl)-2-[[ethyl-[2-(methylamino)ethyl]amino]methyl]quinazolin-4-one
CID 143618066
2-[(1S)-1-[2-(dimethylamino)ethylamino]ethyl]-3-(2-ethoxyphenyl)quinazolin-4-one
CID 1055194
N-butyl-N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]butanamide
CID 42722498
3-(2-ethoxyphenyl)-2-[1-[4-(2-hydroxyethyl)piperazin-1-yl]ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-[1-(4-methylpiperazin-1-yl)ethyl]quinazolin-4-one;3-(2-ethoxyphenyl)-2-(1-piperazin-1-ylethyl)quinazolin-4-one
CID 143270252
2-(chloromethyl)-3-(2-ethoxyphenyl)pyrido[3,4-d]pyrimidin-4-one
CID 89347691
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-pentylbutanamide
CID 42722529
N-[1-[3-(2-ethoxyphenyl)-4-oxoquinazolin-2-yl]ethyl]-N-methylbenzamide
CID 11633288
3-(2-ethoxyphenyl)-2-[1-[4-(2-methylbenzoyl)piperazin-1-yl]ethyl]quinazolin-4-one
CID 11627395
3-(4-chloro-2-ethoxyphenyl)-6-phenyl-2-(piperazin-1-ylmethyl)quinazolin-4-one
CID 178045004

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one?
The IUPAC name of 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one (CID 166663765) is 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one.
What is the SMILES notation for 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one?
The canonical SMILES for 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one is CCCC(C)CN1CCN(Cc2nc3ccccc3c(=O)n2-c2ccccc2OCC)CC1.
What is the InChIKey of 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one?
The InChIKey is OUHIPVLXXULFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O2/c1-4-10-21(3)19-29-15-17-30(18-16-29)20-26-28-23-12-7-6-11-22(23)27(32)31(26)24-13-8-9-14-25(24)33-5-2/h6-9,11-14,21H,4-5,10,15-20H2,1-3H3.
What are the key properties of 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one?
3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one has a molecular weight of 448.61 g/mol, XLogP of 4.34, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyphenyl)-2-[[4-(2-methylpentyl)piperazin-1-yl]methyl]quinazolin-4-one is sourced from PubChem (CID 166663765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).