2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C16H24N2O2 — CID 136963706

IUPAC2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCCC3)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(10-6-3-7-11-16)15-17-13-9-5-4-8-12(13)14(19)18-15/h2-11H2,1H3,(H,17,18,19)
InChIKeyIELIDCZLXCDXEG-UHFFFAOYSA-N
MW276.38 g/mol
LogP2.84
Rot. Bonds3

About 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136963706) has the molecular formula C16H24N2O2 and a molecular weight of 276.38 g/mol. Its IUPAC name is 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136963706
Molecular FormulaC16H24N2O2
Molecular Weight276.38 g/mol
Exact Mass276.18
IUPAC Name2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCCC3)CCCCC1
InChIInChI=1S/C16H24N2O2/c1-2-20-16(10-6-3-7-11-16)15-17-13-9-5-4-8-12(13)14(19)18-15/h2-11H2,1H3,(H,17,18,19)
InChIKeyIELIDCZLXCDXEG-UHFFFAOYSA-N
XLogP2.84
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.38
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1-Ethoxyethenyl)-3,5-diazatricyclo[6.2.2.02,7]dodeca-2(7),3-dien-6-one
CID 145472352
2-(1-ethoxyethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136276391
2-(2-methoxypropan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136286945
5-ethyl-4-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287893
2-(2-Methyloxan-2-yl)-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-4-one
CID 136287897
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136287898
4-methyl-2-(2-methyloxan-2-yl)-5-propan-2-yl-1H-pyrimidin-6-one
CID 136287903
2-(2-Methyloxan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136287907
4-ethyl-5-methyl-2-(2-methyloxan-2-yl)-1H-pyrimidin-6-one
CID 136287910
2-(2-Methyloxolan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136297955
2-(2-methyloxolan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136297988
2-(1-Ethoxycyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696148

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136963706) is 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCOC1(c2nc3c(c(=O)[nH]2)CCCC3)CCCCC1.
What is the InChIKey of 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is IELIDCZLXCDXEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O2/c1-2-20-16(10-6-3-7-11-16)15-17-13-9-5-4-8-12(13)14(19)18-15/h2-11H2,1H3,(H,17,18,19).
What are the key properties of 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 276.38 g/mol, XLogP of 2.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxycyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136963706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).