4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine

C22H28N4O — CID 90947771

IUPAC4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine
SMILESCCCC(CC)ON(CCc1ccccc1)c1ncnc2ccc(N)cc12
InChIInChI=1S/C22H28N4O/c1-3-8-19(4-2)27-26(14-13-17-9-6-5-7-10-17)22-20-15-18(23)11-12-21(20)24-16-25-22/h5-7,9-12,15-16,19H,3-4,8,13-14,23H2,1-2H3
InChIKeyQBGFVMMZAMETAN-UHFFFAOYSA-N
MW364.49 g/mol
LogP4.77
Rot. Bonds9

About 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine

4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine (PubChem CID 90947771) has the molecular formula C22H28N4O and a molecular weight of 364.49 g/mol. Its IUPAC name is 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine
PubChem CID90947771
Molecular FormulaC22H28N4O
Molecular Weight364.49 g/mol
Exact Mass364.23
IUPAC Name4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine
SMILESCCCC(CC)ON(CCc1ccccc1)c1ncnc2ccc(N)cc12
InChIInChI=1S/C22H28N4O/c1-3-8-19(4-2)27-26(14-13-17-9-6-5-7-10-17)22-20-15-18(23)11-12-21(20)24-16-25-22/h5-7,9-12,15-16,19H,3-4,8,13-14,23H2,1-2H3
InChIKeyQBGFVMMZAMETAN-UHFFFAOYSA-N
XLogP4.77
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine with MolForge

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Launch Full Analysis

Related Compounds

4-N-methyl-4-N-pentan-2-ylquinazoline-4,6-diamine
CID 64588086
4-N-pentyl-4-N-propan-2-ylquinazoline-4,6-diamine
CID 64587916
2-[(6-aminoquinazolin-4-yl)-(2-hydroxyethyl)amino]ethanol
CID 64588093
4-N-benzyl-4-N-ethylquinazoline-4,7-diamine
CID 65336807
2-[(6-aminoquinazolin-4-yl)-propylamino]-N,N-dimethylacetamide
CID 64589896
4-N-(4-propylphenyl)quinazoline-4,6-diamine
CID 64589074
4-N-ethyl-4-N-(pyridin-4-ylmethyl)quinazoline-4,6-diamine
CID 64587906
4-N-methyl-4-N-(4-methylphenyl)quinazoline-4,6-diamine
CID 64587921
4-N-(2-methylsulfanylphenyl)quinazoline-4,6-diamine
CID 107643406
4-N-[(4-bromophenyl)methyl]-4-N-methylquinazoline-4,6-diamine
CID 64587901
4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981855
N'-benzyl-N,N-dimethyl-N'-(6-methylquinazolin-4-yl)ethane-1,2-diamine
CID 133430235

Frequently Asked Questions

What is the IUPAC name of 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine?
The IUPAC name of 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine (CID 90947771) is 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine?
The canonical SMILES for 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine is CCCC(CC)ON(CCc1ccccc1)c1ncnc2ccc(N)cc12.
What is the InChIKey of 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine?
The InChIKey is QBGFVMMZAMETAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4O/c1-3-8-19(4-2)27-26(14-13-17-9-6-5-7-10-17)22-20-15-18(23)11-12-21(20)24-16-25-22/h5-7,9-12,15-16,19H,3-4,8,13-14,23H2,1-2H3.
What are the key properties of 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine?
4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine has a molecular weight of 364.49 g/mol, XLogP of 4.77, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-hexan-3-yloxy-4-N-(2-phenylethyl)quinazoline-4,6-diamine is sourced from PubChem (CID 90947771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).