6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one

C17H26N2O2 — CID 82009925

IUPAC6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCCCCCCCC(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C17H26N2O2/c1-3-4-5-6-7-8-16(20)13-9-10-15-14(11-13)12-19(2)17(21)18-15/h9-11,16,20H,3-8,12H2,1-2H3,(H,18,21)
InChIKeyWCOCFEIDEVHTBP-UHFFFAOYSA-N
MW290.41 g/mol
LogP4.06
Rot. Bonds7

About 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one

6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one (PubChem CID 82009925) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one
PubChem CID82009925
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one
SMILESCCCCCCCC(O)c1ccc2c(c1)CN(C)C(=O)N2
InChIInChI=1S/C17H26N2O2/c1-3-4-5-6-7-8-16(20)13-9-10-15-14(11-13)12-19(2)17(21)18-15/h9-11,16,20H,3-8,12H2,1-2H3,(H,18,21)
InChIKeyWCOCFEIDEVHTBP-UHFFFAOYSA-N
XLogP4.06
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 54.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-(1-aminohexyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010395
6-(1-hydroxyethyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009258
6-(1-hydroxy-2,2-dimethylbutyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009726
5-hydroxy-3-methyl-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanoic acid
CID 82009697
5-amino-5-(3-methyl-2-oxo-1,4-dihydroquinazolin-6-yl)pentanamide
CID 82010210
7-(1-hydroxyheptyl)-1,5-dihydro-1,5-benzodiazepine-2,4-dione
CID 114753375
3-methyl-6-(2,2,3,3,3-pentafluoro-1-hydroxypropyl)-1,4-dihydroquinazolin-2-one
CID 82009472
6-[hydroxy-(2-methylcyclopropyl)methyl]-3-methyl-1,4-dihydroquinazolin-2-one
CID 82010582
7-(1-hydroxypentyl)-1,3,4,5-tetrahydro-1-benzazepin-2-one
CID 61082820
3-methyl-6-[1-(methylamino)ethyl]-1,4-dihydroquinazolin-2-one
CID 82009574
6-(1-bromo-4,4,4-trifluorobutyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009735
6-(1-hydroxy-2-methyl-2-methylsulfonylpropyl)-3-methyl-1,4-dihydroquinazolin-2-one
CID 82009709

Frequently Asked Questions

What is the IUPAC name of 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The IUPAC name of 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one (CID 82009925) is 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one.
What is the SMILES notation for 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The canonical SMILES for 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one is CCCCCCCC(O)c1ccc2c(c1)CN(C)C(=O)N2.
What is the InChIKey of 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one?
The InChIKey is WCOCFEIDEVHTBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-4-5-6-7-8-16(20)13-9-10-15-14(11-13)12-19(2)17(21)18-15/h9-11,16,20H,3-8,12H2,1-2H3,(H,18,21).
What are the key properties of 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one?
6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one has a molecular weight of 290.41 g/mol, XLogP of 4.06, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-hydroxyoctyl)-3-methyl-1,4-dihydroquinazolin-2-one is sourced from PubChem (CID 82009925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).