2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

C17H26N2O2 — CID 136963697

IUPAC2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CCCC2)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-2-21-15(12-8-4-3-5-9-12)16-18-14-11-7-6-10-13(14)17(20)19-16/h12,15H,2-11H2,1H3,(H,18,19,20)
InChIKeyLRGQAEFTKJLIRG-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.31
Rot. Bonds4

About 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one

2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136963697) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136963697
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOC(c1nc2c(c(=O)[nH]1)CCCC2)C1CCCCC1
InChIInChI=1S/C17H26N2O2/c1-2-21-15(12-8-4-3-5-9-12)16-18-14-11-7-6-10-13(14)17(20)19-16/h12,15H,2-11H2,1H3,(H,18,19,20)
InChIKeyLRGQAEFTKJLIRG-UHFFFAOYSA-N
XLogP3.31
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.31
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-[cyclohexyl(ethoxy)methyl]-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 116745147
2-(1-ethoxyethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136276391
2-(1-Ethoxyethyl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136276394
2-(1-methoxyethyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136283812
2-(2-methyloxan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136287898
2-(2-Methyloxan-2-yl)-3,5,6,7,8,9-hexahydrocyclohepta[d]pyrimidin-4-one
CID 136287907
2-(5-methyloxolan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136322961
2-[Cyclohexyl(methoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696256
2-[Cyclohexyl(ethoxy)methyl]-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696326
2-[cyclohexyl(methoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941133
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941196

Frequently Asked Questions

What is the IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136963697) is 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCOC(c1nc2c(c(=O)[nH]1)CCCC2)C1CCCCC1.
What is the InChIKey of 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is LRGQAEFTKJLIRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-2-21-15(12-8-4-3-5-9-12)16-18-14-11-7-6-10-13(14)17(20)19-16/h12,15H,2-11H2,1H3,(H,18,19,20).
What are the key properties of 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[cyclohexyl(ethoxy)methyl]-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136963697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).