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

C20H22N4O — CID 139981921

IUPAC4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCC=CCOc1ccccc1CCNc1ncnc2ccc(N)cc12
InChIInChI=1S/C20H22N4O/c1-2-3-12-25-19-7-5-4-6-15(19)10-11-22-20-17-13-16(21)8-9-18(17)23-14-24-20/h2-9,13-14H,10-12,21H2,1H3,(H,22,23,24)
InChIKeyLTDFKUQVQATAHD-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.82
Rot. Bonds7

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

4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 139981921) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID139981921
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCC=CCOc1ccccc1CCNc1ncnc2ccc(N)cc12
InChIInChI=1S/C20H22N4O/c1-2-3-12-25-19-7-5-4-6-15(19)10-11-22-20-17-13-16(21)8-9-18(17)23-14-24-20/h2-9,13-14H,10-12,21H2,1H3,(H,22,23,24)
InChIKeyLTDFKUQVQATAHD-UHFFFAOYSA-N
XLogP3.82
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[2-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981975
4-N-[2-[2-(trifluoromethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981834
4-N-[2-(2-thiophen-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981950
4-N-[2-(2-cyclopent-2-en-1-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981968
4-N-[2-(2-pyridin-4-ylphenyl)ethyl]quinazoline-4,6-diamine
CID 139981788
4-[(6-aminoquinazolin-4-yl)amino]butanamide
CID 64589483
4-N-[2-[3-(2-fluoroethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981903
4-N-[(2-fluorophenyl)methyl]quinazoline-4,6-diamine
CID 64590253
4-N-[2-(3-chlorophenyl)ethyl]quinazoline-4,6-diamine
CID 509543
4-N-[2-(3-fluorophenyl)ethyl]quinazoline-4,6-diamine
CID 64590268
4-N-[2-[4-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981790
4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981922

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine (CID 139981921) is 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine is CC=CCOc1ccccc1CCNc1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is LTDFKUQVQATAHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-2-3-12-25-19-7-5-4-6-15(19)10-11-22-20-17-13-16(21)8-9-18(17)23-14-24-20/h2-9,13-14H,10-12,21H2,1H3,(H,22,23,24).
What are the key properties of 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 334.42 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(2-but-2-enoxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 139981921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).