4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one

C14H18N2O2 — CID 15279355

IUPAC4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2ncnc3c2CCCC3)CC1
InChIInChI=1S/C14H18N2O2/c17-10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)15-9-16-14/h9,11H,1-8H2
InChIKeyJDVCKOSHUCUEAZ-UHFFFAOYSA-N
MW246.31 g/mol
LogP2.25
Rot. Bonds2

About 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one

4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one (PubChem CID 15279355) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one
PubChem CID15279355
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one
SMILESO=C1CCC(Oc2ncnc3c2CCCC3)CC1
InChIInChI=1S/C14H18N2O2/c17-10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)15-9-16-14/h9,11H,1-8H2
InChIKeyJDVCKOSHUCUEAZ-UHFFFAOYSA-N
XLogP2.25
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2,2-Difluoroethoxy)-5,6,7,8-tetrahydroquinazoline
CID 126954579
4-[4-(2-Cyclohexyl-1,1,1,3,3,3-hexafluoropropan-2-yl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline
CID 88308484
4-[4-(Hydroxylimino) cyclohexyloxy]-5,6,7,8-tetrahydroquinazoline
CID 15279356
N-butoxy-4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-imine
CID 15279357
4-[4-(2,4,4-Trimethylpentan-2-yl)cyclohex-3-en-1-yl]oxy-5,6,7,8-tetrahydroquinazoline
CID 15790718
4-methyl-6,7-dihydro-5H-pyrano[2,3-d]pyrimidine
CID 20703075
4-[4-(1-Methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline
CID 21308627
4-(4-Prop-1-en-2-ylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline
CID 53730975
4-(4-Nitrosocyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline
CID 53845554
4-Butoxy-5,6,7,8-tetrahydroquinazolin-2-amine
CID 57000786
N-butoxy-4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexen-1-amine
CID 57125567
4-methoxy-6,7-dihydro-5H-quinazolin-8-one
CID 66828831

Frequently Asked Questions

What is the IUPAC name of 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one?
The IUPAC name of 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one (CID 15279355) is 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one.
What is the SMILES notation for 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one?
The canonical SMILES for 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one is O=C1CCC(Oc2ncnc3c2CCCC3)CC1.
What is the InChIKey of 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one?
The InChIKey is JDVCKOSHUCUEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c17-10-5-7-11(8-6-10)18-14-12-3-1-2-4-13(12)15-9-16-14/h9,11H,1-8H2.
What are the key properties of 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one?
4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one has a molecular weight of 246.31 g/mol, XLogP of 2.25, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5,6,7,8-tetrahydroquinazolin-4-yloxy)cyclohexan-1-one is sourced from PubChem (CID 15279355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).