4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine

C21H23N3O2 — CID 68600652

IUPAC4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine
SMILESCCOc1ccc(-c2ccc3nc(N)nc(OCC4CCC4)c3c2)cc1
InChIInChI=1S/C21H23N3O2/c1-2-25-17-9-6-15(7-10-17)16-8-11-19-18(12-16)20(24-21(22)23-19)26-13-14-4-3-5-14/h6-12,14H,2-5,13H2,1H3,(H2,22,23,24)
InChIKeyAATLHOWWRRQUED-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.46
Rot. Bonds6

About 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine

4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine (PubChem CID 68600652) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine.

Molecular Properties

Compound Name4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine
PubChem CID68600652
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine
SMILESCCOc1ccc(-c2ccc3nc(N)nc(OCC4CCC4)c3c2)cc1
InChIInChI=1S/C21H23N3O2/c1-2-25-17-9-6-15(7-10-17)16-8-11-19-18(12-16)20(24-21(22)23-19)26-13-14-4-3-5-14/h6-12,14H,2-5,13H2,1H3,(H2,22,23,24)
InChIKeyAATLHOWWRRQUED-UHFFFAOYSA-N
XLogP4.46
TPSA70.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine?
The IUPAC name of 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine (CID 68600652) is 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine.
What is the SMILES notation for 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine?
The canonical SMILES for 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine is CCOc1ccc(-c2ccc3nc(N)nc(OCC4CCC4)c3c2)cc1.
What is the InChIKey of 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine?
The InChIKey is AATLHOWWRRQUED-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-2-25-17-9-6-15(7-10-17)16-8-11-19-18(12-16)20(24-21(22)23-19)26-13-14-4-3-5-14/h6-12,14H,2-5,13H2,1H3,(H2,22,23,24).
What are the key properties of 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine?
4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine has a molecular weight of 349.43 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclobutylmethoxy)-6-(4-ethoxyphenyl)quinazolin-2-amine is sourced from PubChem (CID 68600652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).