2-cyclohexyloxy-7-methoxyquinazoline

C15H18N2O2 — CID 154198107

IUPAC2-cyclohexyloxy-7-methoxyquinazoline
SMILESCOc1ccc2cnc(OC3CCCCC3)nc2c1
InChIInChI=1S/C15H18N2O2/c1-18-13-8-7-11-10-16-15(17-14(11)9-13)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyBKGBQNKNGGEJPM-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.35
Rot. Bonds3

About 2-cyclohexyloxy-7-methoxyquinazoline

2-cyclohexyloxy-7-methoxyquinazoline (PubChem CID 154198107) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 2-cyclohexyloxy-7-methoxyquinazoline.

Molecular Properties

Compound Name2-cyclohexyloxy-7-methoxyquinazoline
PubChem CID154198107
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name2-cyclohexyloxy-7-methoxyquinazoline
SMILESCOc1ccc2cnc(OC3CCCCC3)nc2c1
InChIInChI=1S/C15H18N2O2/c1-18-13-8-7-11-10-16-15(17-14(11)9-13)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3
InChIKeyBKGBQNKNGGEJPM-UHFFFAOYSA-N
XLogP3.35
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclohexyloxy-7-methoxyquinazoline?
The IUPAC name of 2-cyclohexyloxy-7-methoxyquinazoline (CID 154198107) is 2-cyclohexyloxy-7-methoxyquinazoline.
What is the SMILES notation for 2-cyclohexyloxy-7-methoxyquinazoline?
The canonical SMILES for 2-cyclohexyloxy-7-methoxyquinazoline is COc1ccc2cnc(OC3CCCCC3)nc2c1.
What is the InChIKey of 2-cyclohexyloxy-7-methoxyquinazoline?
The InChIKey is BKGBQNKNGGEJPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-18-13-8-7-11-10-16-15(17-14(11)9-13)19-12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3.
What are the key properties of 2-cyclohexyloxy-7-methoxyquinazoline?
2-cyclohexyloxy-7-methoxyquinazoline has a molecular weight of 258.32 g/mol, XLogP of 3.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyloxy-7-methoxyquinazoline is sourced from PubChem (CID 154198107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).