4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile

C16H17N3O — CID 170368343

IUPAC4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile
SMILESCC1CCC(Oc2ncnc3ccc(C#N)cc23)CC1
InChIInChI=1S/C16H17N3O/c1-11-2-5-13(6-3-11)20-16-14-8-12(9-17)4-7-15(14)18-10-19-16/h4,7-8,10-11,13H,2-3,5-6H2,1H3
InChIKeyOJPNUDWAMIPRSI-UHFFFAOYSA-N
MW267.33 g/mol
LogP3.46
Rot. Bonds2

About 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile

4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile (PubChem CID 170368343) has the molecular formula C16H17N3O and a molecular weight of 267.33 g/mol. Its IUPAC name is 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile.

Molecular Properties

Compound Name4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile
PubChem CID170368343
Molecular FormulaC16H17N3O
Molecular Weight267.33 g/mol
Exact Mass267.14
IUPAC Name4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile
SMILESCC1CCC(Oc2ncnc3ccc(C#N)cc23)CC1
InChIInChI=1S/C16H17N3O/c1-11-2-5-13(6-3-11)20-16-14-8-12(9-17)4-7-15(14)18-10-19-16/h4,7-8,10-11,13H,2-3,5-6H2,1H3
InChIKeyOJPNUDWAMIPRSI-UHFFFAOYSA-N
XLogP3.46
TPSA58.80 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile?
The IUPAC name of 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile (CID 170368343) is 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile.
What is the SMILES notation for 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile?
The canonical SMILES for 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile is CC1CCC(Oc2ncnc3ccc(C#N)cc23)CC1.
What is the InChIKey of 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile?
The InChIKey is OJPNUDWAMIPRSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O/c1-11-2-5-13(6-3-11)20-16-14-8-12(9-17)4-7-15(14)18-10-19-16/h4,7-8,10-11,13H,2-3,5-6H2,1H3.
What are the key properties of 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile?
4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile has a molecular weight of 267.33 g/mol, XLogP of 3.46, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylcyclohexyl)oxyquinazoline-6-carbonitrile is sourced from PubChem (CID 170368343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).