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

C20H24N4O — CID 509564

IUPAC4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCCCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C20H24N4O/c1-2-3-12-25-17-7-4-15(5-8-17)10-11-22-20-18-13-16(21)6-9-19(18)23-14-24-20/h4-9,13-14H,2-3,10-12,21H2,1H3,(H,22,23,24)
InChIKeyAXDZPXFZNXYVLH-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.05
Rot. Bonds8

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

4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 509564) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID509564
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCCCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1
InChIInChI=1S/C20H24N4O/c1-2-3-12-25-17-7-4-15(5-8-17)10-11-22-20-18-13-16(21)6-9-19(18)23-14-24-20/h4-9,13-14H,2-3,10-12,21H2,1H3,(H,22,23,24)
InChIKeyAXDZPXFZNXYVLH-UHFFFAOYSA-N
XLogP4.05
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine (CID 509564) is 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine is CCCCOc1ccc(CCNc2ncnc3ccc(N)cc23)cc1.
What is the InChIKey of 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is AXDZPXFZNXYVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-3-12-25-17-7-4-15(5-8-17)10-11-22-20-18-13-16(21)6-9-19(18)23-14-24-20/h4-9,13-14H,2-3,10-12,21H2,1H3,(H,22,23,24).
What are the key properties of 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 336.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(4-butoxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 509564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).