2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one

C18H24N2O2 — CID 169155288

IUPAC2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc(C(C)O)c2nc(C3CCCCC3)n(C)c(=O)c2c1
InChIInChI=1S/C18H24N2O2/c1-11-9-14(12(2)21)16-15(10-11)18(22)20(3)17(19-16)13-7-5-4-6-8-13/h9-10,12-13,21H,4-8H2,1-3H3
InChIKeyVBLZWISCDBZSPU-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.34
Rot. Bonds2

About 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one

2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one (PubChem CID 169155288) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one.

Molecular Properties

Compound Name2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one
PubChem CID169155288
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one
SMILESCc1cc(C(C)O)c2nc(C3CCCCC3)n(C)c(=O)c2c1
InChIInChI=1S/C18H24N2O2/c1-11-9-14(12(2)21)16-15(10-11)18(22)20(3)17(19-16)13-7-5-4-6-8-13/h9-10,12-13,21H,4-8H2,1-3H3
InChIKeyVBLZWISCDBZSPU-UHFFFAOYSA-N
XLogP3.34
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[8-(1-hydroxyethyl)-3,6-dimethyl-4-oxoquinazolin-2-yl]pyrrolidine-1-carboxylic acid
CID 170167650
2-(2-azabicyclo[2.2.1]heptan-2-yl)-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one
CID 169212467
2-[1-[2-(4,4-dimethylcyclohexyl)-3,6-dimethyl-4-oxoquinazolin-8-yl]ethylamino]benzoic acid
CID 171102922
8-bromo-3,6-dimethyl-2-(oxetan-3-yl)quinazolin-4-one
CID 169154517
3,6-dimethyl-8-[(1S)-1-(2-methylsulfonylanilino)ethyl]-2-(oxan-4-yl)quinazolin-4-one
CID 170753886
8-[(1R)-1-aminoethyl]-3,6-dimethyl-2-(1-methylcyclobutyl)quinazolin-4-one
CID 169155366
8-[(1R)-1-[4-fluoro-2-[(3S)-3-hydroxypiperidin-1-yl]anilino]ethyl]-3,6-dimethyl-2-(oxan-4-yl)quinazolin-4-one
CID 170753137
8-(1-aminoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170754048
8-[(1R)-1-aminoethyl]-2-ethyl-3,6-dimethylquinazolin-4-one
CID 169155141
methyl 6-chloro-3-[[(1R)-1-(3,6-dimethyl-4-oxo-2-piperidin-4-ylquinazolin-8-yl)ethyl]amino]pyridine-2-carboxylate;hydrochloride
CID 169154639
8-[(1R)-1-aminoethyl]-2-(1-fluorocyclopropyl)-3,6-dimethylquinazolin-4-one
CID 169154717
8-(1-bromoethyl)-3,6-dimethyl-2-morpholin-4-ylquinazolin-4-one
CID 170753277

Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one?
The IUPAC name of 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one (CID 169155288) is 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one.
What is the SMILES notation for 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one?
The canonical SMILES for 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one is Cc1cc(C(C)O)c2nc(C3CCCCC3)n(C)c(=O)c2c1.
What is the InChIKey of 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one?
The InChIKey is VBLZWISCDBZSPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-11-9-14(12(2)21)16-15(10-11)18(22)20(3)17(19-16)13-7-5-4-6-8-13/h9-10,12-13,21H,4-8H2,1-3H3.
What are the key properties of 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one?
2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one has a molecular weight of 300.40 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-8-(1-hydroxyethyl)-3,6-dimethylquinazolin-4-one is sourced from PubChem (CID 169155288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).