4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine

C23H22N4O2 — CID 139981946

IUPAC4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
SMILESCOc1ccc(Oc2cccc(CCNc3ncnc4ccc(N)cc34)c2)cc1
InChIInChI=1S/C23H22N4O2/c1-28-18-6-8-19(9-7-18)29-20-4-2-3-16(13-20)11-12-25-23-21-14-17(24)5-10-22(21)26-15-27-23/h2-10,13-15H,11-12,24H2,1H3,(H,25,26,27)
InChIKeyBHNFXQNKFBSISG-UHFFFAOYSA-N
MW386.46 g/mol
LogP4.67
Rot. Bonds7

About 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine

4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine (PubChem CID 139981946) has the molecular formula C23H22N4O2 and a molecular weight of 386.46 g/mol. Its IUPAC name is 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
PubChem CID139981946
Molecular FormulaC23H22N4O2
Molecular Weight386.46 g/mol
Exact Mass386.17
IUPAC Name4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
SMILESCOc1ccc(Oc2cccc(CCNc3ncnc4ccc(N)cc34)c2)cc1
InChIInChI=1S/C23H22N4O2/c1-28-18-6-8-19(9-7-18)29-20-4-2-3-16(13-20)11-12-25-23-21-14-17(24)5-10-22(21)26-15-27-23/h2-10,13-15H,11-12,24H2,1H3,(H,25,26,27)
InChIKeyBHNFXQNKFBSISG-UHFFFAOYSA-N
XLogP4.67
TPSA82.29 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.46
LogP ≤ 54.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981922
4-N-[2-[3-(2-fluoroethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981903
4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981855
4-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981974
4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981896
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848
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-[3-[(5-methylthiophen-2-yl)methoxy]phenyl]ethyl]quinazoline-4,6-diamine
CID 139981796
4-N-[2-[3-(pyrazin-2-ylmethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981850
4-N-[2-[4-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981790
4-N-[2-(4-but-3-enoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981937

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine (CID 139981946) is 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine is COc1ccc(Oc2cccc(CCNc3ncnc4ccc(N)cc34)c2)cc1.
What is the InChIKey of 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine?
The InChIKey is BHNFXQNKFBSISG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O2/c1-28-18-6-8-19(9-7-18)29-20-4-2-3-16(13-20)11-12-25-23-21-14-17(24)5-10-22(21)26-15-27-23/h2-10,13-15H,11-12,24H2,1H3,(H,25,26,27).
What are the key properties of 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine?
4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine has a molecular weight of 386.46 g/mol, XLogP of 4.67, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 139981946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).