4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline

C18H22N2O — CID 67599694

IUPAC4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline
SMILESCC1(C2CCC(Oc3ncnc4ccccc34)CC2)CC1
InChIInChI=1S/C18H22N2O/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/h2-5,12-14H,6-11H2,1H3
InChIKeyOMIUTNDPAKCRRS-UHFFFAOYSA-N
MW282.39 g/mol
LogP4.37
Rot. Bonds3

About 4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline

4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline (PubChem CID 67599694) has the molecular formula C18H22N2O and a molecular weight of 282.39 g/mol. Its IUPAC name is 4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline.

Molecular Properties

Compound Name4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline
PubChem CID67599694
Molecular FormulaC18H22N2O
Molecular Weight282.39 g/mol
Exact Mass282.17
IUPAC Name4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline
SMILESCC1(C2CCC(Oc3ncnc4ccccc34)CC2)CC1
InChIInChI=1S/C18H22N2O/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/h2-5,12-14H,6-11H2,1H3
InChIKeyOMIUTNDPAKCRRS-UHFFFAOYSA-N
XLogP4.37
TPSA35.01 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 54.37
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]oxyquinazoline?
The IUPAC name of 4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline (CID 67599694) is 4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline.
What is the SMILES notation for 4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline?
The canonical SMILES for 4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline is CC1(C2CCC(Oc3ncnc4ccccc34)CC2)CC1.
What is the InChIKey of 4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline?
The InChIKey is OMIUTNDPAKCRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O/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/h2-5,12-14H,6-11H2,1H3.
What are the key properties of 4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline?
4-[4-(1-methylcyclopropyl)cyclohexyl]oxyquinazoline has a molecular weight of 282.39 g/mol, XLogP of 4.37, 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]oxyquinazoline is sourced from PubChem (CID 67599694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).