4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline

C18H26N2O — CID 21308627

IUPAC4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline
SMILESCC1(C2CCC(Oc3ncnc4c3CCCC4)CC2)CC1
InChIInChI=1S/C18H26N2O/c1-18(10-11-18)13-6-8-14(9-7-13)21-17-15-4-2-3-5-16(15)19-12-20-17/h12-14H,2-11H2,1H3
InChIKeyFYUDSNUASLUCSG-UHFFFAOYSA-N
MW286.42 g/mol
LogP4.09
Rot. Bonds3

About 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline

4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline (PubChem CID 21308627) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline
PubChem CID21308627
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline
SMILESCC1(C2CCC(Oc3ncnc4c3CCCC4)CC2)CC1
InChIInChI=1S/C18H26N2O/c1-18(10-11-18)13-6-8-14(9-7-13)21-17-15-4-2-3-5-16(15)19-12-20-17/h12-14H,2-11H2,1H3
InChIKeyFYUDSNUASLUCSG-UHFFFAOYSA-N
XLogP4.09
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline (CID 21308627) is 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline is CC1(C2CCC(Oc3ncnc4c3CCCC4)CC2)CC1.
What is the InChIKey of 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline?
The InChIKey is FYUDSNUASLUCSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-18(10-11-18)13-6-8-14(9-7-13)21-17-15-4-2-3-5-16(15)19-12-20-17/h12-14H,2-11H2,1H3.
What are the key properties of 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline?
4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline has a molecular weight of 286.42 g/mol, XLogP of 4.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1-methylcyclopropyl)cyclohexyl]oxy-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 21308627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).