4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline

C20H24N2O — CID 18184437

IUPAC4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline
SMILESc1ccc(C2CCC(Oc3ncnc4c3CCCC4)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-3,6-7,14,16-17H,4-5,8-13H2
InChIKeyZQKOKOBIOYGHHK-UHFFFAOYSA-N
MW308.42 g/mol
LogP4.46
Rot. Bonds3

About 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline

4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline (PubChem CID 18184437) has the molecular formula C20H24N2O and a molecular weight of 308.42 g/mol. Its IUPAC name is 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline
PubChem CID18184437
Molecular FormulaC20H24N2O
Molecular Weight308.42 g/mol
Exact Mass308.19
IUPAC Name4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline
SMILESc1ccc(C2CCC(Oc3ncnc4c3CCCC4)CC2)cc1
InChIInChI=1S/C20H24N2O/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-3,6-7,14,16-17H,4-5,8-13H2
InChIKeyZQKOKOBIOYGHHK-UHFFFAOYSA-N
XLogP4.46
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline (CID 18184437) is 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline is c1ccc(C2CCC(Oc3ncnc4c3CCCC4)CC2)cc1.
What is the InChIKey of 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline?
The InChIKey is ZQKOKOBIOYGHHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O/c1-2-6-15(7-3-1)16-10-12-17(13-11-16)23-20-18-8-4-5-9-19(18)21-14-22-20/h1-3,6-7,14,16-17H,4-5,8-13H2.
What are the key properties of 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline?
4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline has a molecular weight of 308.42 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-phenylcyclohexyl)oxy-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 18184437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).