3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one

C12H18N2O — CID 139239522

IUPAC3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCC(C)Cn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C12H18N2O/c1-9(2)7-14-8-13-11-6-4-3-5-10(11)12(14)15/h8-9H,3-7H2,1-2H3
InChIKeyHBFRTTKWRKZTBP-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.78
Rot. Bonds2

About 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one

3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 139239522) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID139239522
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCC(C)Cn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C12H18N2O/c1-9(2)7-14-8-13-11-6-4-3-5-10(11)12(14)15/h8-9H,3-7H2,1-2H3
InChIKeyHBFRTTKWRKZTBP-UHFFFAOYSA-N
XLogP1.78
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-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

4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-
CID 135538130
1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-one
CID 526440
2,3,4,6,7,8,9,10-octahydro-1H-azepino[2,1-b]quinazolin-12-one;hydrochloride
CID 13183098
3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno
CID 523978
2,3,4,6,7,8,9,10-Octahydro-1H-cyclohepta[d]pyrido[1,2-a]pyrimidin-11-one
CID 12485602
9-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 12485605
4-Pyrimidinol, 6-methyl-5-pentyl-
CID 135854969
1,2,3,4,6,7,8,9,10,11-Decahydro-5,11a-diaza-cycloocta[b]naphthalen-12-one
CID 13197377
6-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081389
7-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081390
8-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 13081391
10-Methyl-1,3,4,6,7,8,9,10-octahydroazepino[2,1-b]quinazolin-12(2H)-one
CID 367887

Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one (CID 139239522) is 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one is CC(C)Cn1cnc2c(c1=O)CCCC2.
What is the InChIKey of 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is HBFRTTKWRKZTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9(2)7-14-8-13-11-6-4-3-5-10(11)12(14)15/h8-9H,3-7H2,1-2H3.
What are the key properties of 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one?
3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 206.29 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 139239522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).