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

C19H22N4O — CID 139981922

IUPAC4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCCCOc1cccc(CCNc2ncnc3ccc(N)cc23)c1
InChIInChI=1S/C19H22N4O/c1-2-10-24-16-5-3-4-14(11-16)8-9-21-19-17-12-15(20)6-7-18(17)22-13-23-19/h3-7,11-13H,2,8-10,20H2,1H3,(H,21,22,23)
InChIKeyWZBNQIKDLQGKTE-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.66
Rot. Bonds7

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

4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine (PubChem CID 139981922) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine
PubChem CID139981922
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine
SMILESCCCOc1cccc(CCNc2ncnc3ccc(N)cc23)c1
InChIInChI=1S/C19H22N4O/c1-2-10-24-16-5-3-4-14(11-16)8-9-21-19-17-12-15(20)6-7-18(17)22-13-23-19/h3-7,11-13H,2,8-10,20H2,1H3,(H,21,22,23)
InChIKeyWZBNQIKDLQGKTE-UHFFFAOYSA-N
XLogP3.66
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-N-[2-[3-(2-fluoroethoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981903
4-N-[2-[3-(3-methylbutoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981974
4-N-[2-(3-butan-2-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981855
4-N-[2-[3-(4-methoxyphenoxy)phenyl]ethyl]quinazoline-4,6-diamine
CID 139981946
4-N-[2-(3-cyclobutyloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981896
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-(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-(4-but-3-enoxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981937
4-N-[2-(4-pyridin-4-yloxyphenyl)ethyl]quinazoline-4,6-diamine
CID 139981848

Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine?
The IUPAC name of 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine (CID 139981922) is 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine.
What is the SMILES notation for 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine?
The canonical SMILES for 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine is CCCOc1cccc(CCNc2ncnc3ccc(N)cc23)c1.
What is the InChIKey of 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine?
The InChIKey is WZBNQIKDLQGKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-10-24-16-5-3-4-14(11-16)8-9-21-19-17-12-15(20)6-7-18(17)22-13-23-19/h3-7,11-13H,2,8-10,20H2,1H3,(H,21,22,23).
What are the key properties of 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine?
4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine has a molecular weight of 322.41 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(3-propoxyphenyl)ethyl]quinazoline-4,6-diamine is sourced from PubChem (CID 139981922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).