4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine

C17H18N4O — CID 509545

IUPAC4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCOc1ccccc1CCNc1ncnc2ccc(N)cc12
InChIInChI=1S/C17H18N4O/c1-22-16-5-3-2-4-12(16)8-9-19-17-14-10-13(18)6-7-15(14)20-11-21-17/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21)
InChIKeyAVFWMTYNHGAUGJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.88
Rot. Bonds5

About 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine

4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 509545) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID509545
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCOc1ccccc1CCNc1ncnc2ccc(N)cc12
InChIInChI=1S/C17H18N4O/c1-22-16-5-3-2-4-12(16)8-9-19-17-14-10-13(18)6-7-15(14)20-11-21-17/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21)
InChIKeyAVFWMTYNHGAUGJ-UHFFFAOYSA-N
XLogP2.88
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine (CID 509545) is 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine is COc1ccccc1CCNc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is AVFWMTYNHGAUGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-16-5-3-2-4-12(16)8-9-19-17-14-10-13(18)6-7-15(14)20-11-21-17/h2-7,10-11H,8-9,18H2,1H3,(H,19,20,21).
What are the key properties of 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 294.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-methoxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 509545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).