4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine

C19H29N3O — CID 154004889

IUPAC4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine
SMILESCCCCC(CC)COCCCc1nc(N)nc2ccccc12
InChIInChI=1S/C19H29N3O/c1-3-5-9-15(4-2)14-23-13-8-12-18-16-10-6-7-11-17(16)21-19(20)22-18/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyASINLZAMWZESFG-UHFFFAOYSA-N
MW315.46 g/mol
LogP4.38
Rot. Bonds10

About 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine

4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine (PubChem CID 154004889) has the molecular formula C19H29N3O and a molecular weight of 315.46 g/mol. Its IUPAC name is 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine.

Molecular Properties

Compound Name4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine
PubChem CID154004889
Molecular FormulaC19H29N3O
Molecular Weight315.46 g/mol
Exact Mass315.23
IUPAC Name4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine
SMILESCCCCC(CC)COCCCc1nc(N)nc2ccccc12
InChIInChI=1S/C19H29N3O/c1-3-5-9-15(4-2)14-23-13-8-12-18-16-10-6-7-11-17(16)21-19(20)22-18/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H2,20,21,22)
InChIKeyASINLZAMWZESFG-UHFFFAOYSA-N
XLogP4.38
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.46
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine?
The IUPAC name of 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine (CID 154004889) is 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine.
What is the SMILES notation for 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine?
The canonical SMILES for 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine is CCCCC(CC)COCCCc1nc(N)nc2ccccc12.
What is the InChIKey of 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine?
The InChIKey is ASINLZAMWZESFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O/c1-3-5-9-15(4-2)14-23-13-8-12-18-16-10-6-7-11-17(16)21-19(20)22-18/h6-7,10-11,15H,3-5,8-9,12-14H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine?
4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine has a molecular weight of 315.46 g/mol, XLogP of 4.38, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-ethylhexoxy)propyl]quinazolin-2-amine is sourced from PubChem (CID 154004889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).