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

C13H21N3O — CID 82168028

IUPAC3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCCC(N)Cn1c(C)nc2c(c1=O)CCCC2
InChIInChI=1S/C13H21N3O/c1-3-10(14)8-16-9(2)15-12-7-5-4-6-11(12)13(16)17/h10H,3-8,14H2,1-2H3
InChIKeyIUZUGSNGPCOTCP-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.17
Rot. Bonds3

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

3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 82168028) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID82168028
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCCC(N)Cn1c(C)nc2c(c1=O)CCCC2
InChIInChI=1S/C13H21N3O/c1-3-10(14)8-16-9(2)15-12-7-5-4-6-11(12)13(16)17/h10H,3-8,14H2,1-2H3
InChIKeyIUZUGSNGPCOTCP-UHFFFAOYSA-N
XLogP1.17
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4(3H)-Quinazolinone, 5,6,7,8-tetrahydro-2-methyl-
CID 135431271
1,2,3,4,6,7,8,9-Octahydro-pyrido[2,1-b]quinazolin-11-one
CID 526440
3H-Pyrimidin-4-one, 2,3-pentamethyleno-5,6-tetramethyleno
CID 523978
9-Methyl-1,2,3,4,6,7,8,9-octahydropyrido[2,1-b]quinazolin-11-one
CID 12485605
1,2,3,4,6,7,8,9,10,11-Decahydro-5,11a-diaza-cycloocta[b]naphthalen-12-one
CID 13197377
10-Methyl-1,3,4,6,7,8,9,10-octahydroazepino[2,1-b]quinazolin-12(2H)-one
CID 367887
1-methyl-2,3,5,6,7,8-hexahydro-1H-pyrrolo[2,1-b]quinazolin-9-one
CID 23274016
N~1~-cyclohexyl-2-[4-oxo-5,6,7,8-tetrahydro-3(4H)-quinazolinyl]acetamide
CID 53014419
2-propyl-5,6,7,8-tetrahydro-4(3H)-quinazolinone
CID 136114047
2-(2-Aminobutan-2-yl)-3,4,5,6,7,8-hexahydroquinazolin-4-one
CID 135962921
2-(2-aminopropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136103423
3-Hexyl-5,6,7,8-tetrahydroquinazolin-4-one
CID 139239521

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one (CID 82168028) is 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one is CCC(N)Cn1c(C)nc2c(c1=O)CCCC2.
What is the InChIKey of 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is IUZUGSNGPCOTCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-3-10(14)8-16-9(2)15-12-7-5-4-6-11(12)13(16)17/h10H,3-8,14H2,1-2H3.
What are the key properties of 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one?
3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 235.33 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminobutyl)-2-methyl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 82168028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).