3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one

C14H22N2O — CID 139239521

IUPAC3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCCCCCCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C14H22N2O/c1-2-3-4-7-10-16-11-15-13-9-6-5-8-12(13)14(16)17/h11H,2-10H2,1H3
InChIKeyPAYDGMTWDJGMBY-UHFFFAOYSA-N
MW234.34 g/mol
LogP2.70
Rot. Bonds5

About 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one

3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one (PubChem CID 139239521) has the molecular formula C14H22N2O and a molecular weight of 234.34 g/mol. Its IUPAC name is 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one.

Molecular Properties

Compound Name3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one
PubChem CID139239521
Molecular FormulaC14H22N2O
Molecular Weight234.34 g/mol
Exact Mass234.17
IUPAC Name3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one
SMILESCCCCCCn1cnc2c(c1=O)CCCC2
InChIInChI=1S/C14H22N2O/c1-2-3-4-7-10-16-11-15-13-9-6-5-8-12(13)14(16)17/h11H,2-10H2,1H3
InChIKeyPAYDGMTWDJGMBY-UHFFFAOYSA-N
XLogP2.70
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.34
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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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
Pyrrolo[2,1-b]quinazolin-9(1H)-one, 2,3,5,6,7,8-hexahydro-
CID 13183095
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

Frequently Asked Questions

What is the IUPAC name of 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one?
The IUPAC name of 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one (CID 139239521) is 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one.
What is the SMILES notation for 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one?
The canonical SMILES for 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one is CCCCCCn1cnc2c(c1=O)CCCC2.
What is the InChIKey of 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one?
The InChIKey is PAYDGMTWDJGMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O/c1-2-3-4-7-10-16-11-15-13-9-6-5-8-12(13)14(16)17/h11H,2-10H2,1H3.
What are the key properties of 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one?
3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one has a molecular weight of 234.34 g/mol, XLogP of 2.70, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hexyl-5,6,7,8-tetrahydroquinazolin-4-one is sourced from PubChem (CID 139239521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).