4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline

C22H24N2O2 — CID 23640944

IUPAC4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline
SMILESCOc1ccc(-c2nc(C3CCCCC3)c3cc(OC)ccc3n2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-17-10-8-16(9-11-17)22-23-20-13-12-18(26-2)14-19(20)21(24-22)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3
InChIKeyRTEVKHLRKJUXQU-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.36
Rot. Bonds4

About 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline

4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline (PubChem CID 23640944) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline.

Molecular Properties

Compound Name4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline
PubChem CID23640944
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline
SMILESCOc1ccc(-c2nc(C3CCCCC3)c3cc(OC)ccc3n2)cc1
InChIInChI=1S/C22H24N2O2/c1-25-17-10-8-16(9-11-17)22-23-20-13-12-18(26-2)14-19(20)21(24-22)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3
InChIKeyRTEVKHLRKJUXQU-UHFFFAOYSA-N
XLogP5.36
TPSA44.24 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline?
The IUPAC name of 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline (CID 23640944) is 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline.
What is the SMILES notation for 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline?
The canonical SMILES for 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline is COc1ccc(-c2nc(C3CCCCC3)c3cc(OC)ccc3n2)cc1.
What is the InChIKey of 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline?
The InChIKey is RTEVKHLRKJUXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-25-17-10-8-16(9-11-17)22-23-20-13-12-18(26-2)14-19(20)21(24-22)15-6-4-3-5-7-15/h8-15H,3-7H2,1-2H3.
What are the key properties of 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline?
4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline has a molecular weight of 348.45 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexyl-6-methoxy-2-(4-methoxyphenyl)quinazoline is sourced from PubChem (CID 23640944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).