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

C17H26N2O2 — CID 136963699

IUPAC2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCCC3)CCC(C)CC1
InChIInChI=1S/C17H26N2O2/c1-3-21-17(10-8-12(2)9-11-17)16-18-14-7-5-4-6-13(14)15(20)19-16/h12H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyMIYPDWGFAVTVFO-UHFFFAOYSA-N
MW290.41 g/mol
LogP3.09
Rot. Bonds3

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

2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (PubChem CID 136963699) has the molecular formula C17H26N2O2 and a molecular weight of 290.41 g/mol. Its IUPAC name is 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
PubChem CID136963699
Molecular FormulaC17H26N2O2
Molecular Weight290.41 g/mol
Exact Mass290.20
IUPAC Name2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
SMILESCCOC1(c2nc3c(c(=O)[nH]2)CCCC3)CCC(C)CC1
InChIInChI=1S/C17H26N2O2/c1-3-21-17(10-8-12(2)9-11-17)16-18-14-7-5-4-6-13(14)15(20)19-16/h12H,3-11H2,1-2H3,(H,18,19,20)
InChIKeyMIYPDWGFAVTVFO-UHFFFAOYSA-N
XLogP3.09
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 53.09
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-ethoxy-4-methylcyclohexyl)-4-hydroxy-5-propyl-1H-pyrimidin-6-one
CID 116745149
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
2-(2-methyloxolan-2-yl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136297988
2-(1-Methoxy-4-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696324
2-(1-Ethoxy-4-methylcyclohexyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696382
2-(1-methoxycyclopentyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one
CID 136773818
2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[4,3-d]pyrimidin-4-one
CID 136941105
2-(1-methoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136941537

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The IUPAC name of 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one (CID 136963699) is 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one.
What is the SMILES notation for 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The canonical SMILES for 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is CCOC1(c2nc3c(c(=O)[nH]2)CCCC3)CCC(C)CC1.
What is the InChIKey of 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
The InChIKey is MIYPDWGFAVTVFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O2/c1-3-21-17(10-8-12(2)9-11-17)16-18-14-7-5-4-6-13(14)15(20)19-16/h12H,3-11H2,1-2H3,(H,18,19,20).
What are the key properties of 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one?
2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one has a molecular weight of 290.41 g/mol, XLogP of 3.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxy-4-methylcyclohexyl)-5,6,7,8-tetrahydro-3H-quinazolin-4-one is sourced from PubChem (CID 136963699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).