butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline

C21H26N2O2 — CID 143095074

IUPACbutan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline
SMILESCCCCO.Cc1ccc(CCOc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H16N2O.C4H10O/c1-13-6-8-14(9-7-13)10-11-20-17-15-4-2-3-5-16(15)18-12-19-17;1-2-3-4-5/h2-9,12H,10-11H2,1H3;5H,2-4H2,1H3
InChIKeyWEZGLEQMMHWWAO-UHFFFAOYSA-N
MW338.45 g/mol
LogP4.34
Rot. Bonds6

About butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline

butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline (PubChem CID 143095074) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline.

Molecular Properties

Compound Namebutan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline
PubChem CID143095074
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Namebutan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline
SMILESCCCCO.Cc1ccc(CCOc2ncnc3ccccc23)cc1
InChIInChI=1S/C17H16N2O.C4H10O/c1-13-6-8-14(9-7-13)10-11-20-17-15-4-2-3-5-16(15)18-12-19-17;1-2-3-4-5/h2-9,12H,10-11H2,1H3;5H,2-4H2,1H3
InChIKeyWEZGLEQMMHWWAO-UHFFFAOYSA-N
XLogP4.34
TPSA55.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline?
The IUPAC name of butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline (CID 143095074) is butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline.
What is the SMILES notation for butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline?
The canonical SMILES for butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline is CCCCO.Cc1ccc(CCOc2ncnc3ccccc23)cc1.
What is the InChIKey of butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline?
The InChIKey is WEZGLEQMMHWWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O.C4H10O/c1-13-6-8-14(9-7-13)10-11-20-17-15-4-2-3-5-16(15)18-12-19-17;1-2-3-4-5/h2-9,12H,10-11H2,1H3;5H,2-4H2,1H3.
What are the key properties of butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline?
butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline has a molecular weight of 338.45 g/mol, XLogP of 4.34, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;4-[2-(4-methylphenyl)ethoxy]quinazoline is sourced from PubChem (CID 143095074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).