4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine

C16H16N4O — CID 80845389

IUPAC4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine
SMILESNc1nc(OCCCc2ccncc2)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c17-16-19-14-6-2-1-5-13(14)15(20-16)21-11-3-4-12-7-9-18-10-8-12/h1-2,5-10H,3-4,11H2,(H2,17,19,20)
InChIKeyDPBREPMKQJXARA-UHFFFAOYSA-N
MW280.33 g/mol
LogP2.62
Rot. Bonds5

About 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine

4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine (PubChem CID 80845389) has the molecular formula C16H16N4O and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine.

Molecular Properties

Compound Name4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine
PubChem CID80845389
Molecular FormulaC16H16N4O
Molecular Weight280.33 g/mol
Exact Mass280.13
IUPAC Name4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine
SMILESNc1nc(OCCCc2ccncc2)c2ccccc2n1
InChIInChI=1S/C16H16N4O/c17-16-19-14-6-2-1-5-13(14)15(20-16)21-11-3-4-12-7-9-18-10-8-12/h1-2,5-10H,3-4,11H2,(H2,17,19,20)
InChIKeyDPBREPMKQJXARA-UHFFFAOYSA-N
XLogP2.62
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-aminoquinazolin-4-yl)oxyethanol
CID 80859584
4-(2-thiophen-2-ylethoxy)quinazolin-2-amine
CID 80872836
4-(2-piperidin-1-ylethoxy)quinazolin-2-amine
CID 80871304
4-(3-methoxy-3-methylbutoxy)quinazolin-2-amine
CID 106669175
4-(cyclopropylmethoxy)quinazolin-2-amine
CID 80866857
4-[3-(4-chlorophenoxy)propyl]quinazolin-2-amine
CID 154004906
2,5-dimethyl-6-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 80865296
4-(3-propan-2-yloxypropyl)quinazolin-2-amine
CID 154004886
6-methoxy-2-(3-pyridin-4-ylpropoxy)pyridin-3-amine
CID 115321102
4-(5-phenoxypentyl)pyridine
CID 117060417
[3-(3-phenylpropoxy)pyrazin-2-yl]methanamine
CID 62684504
5-(3-pyridin-4-ylpropoxy)quinolin-8-amine
CID 43449674

Frequently Asked Questions

What is the IUPAC name of 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine?
The IUPAC name of 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine (CID 80845389) is 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine.
What is the SMILES notation for 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine?
The canonical SMILES for 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine is Nc1nc(OCCCc2ccncc2)c2ccccc2n1.
What is the InChIKey of 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine?
The InChIKey is DPBREPMKQJXARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O/c17-16-19-14-6-2-1-5-13(14)15(20-16)21-11-3-4-12-7-9-18-10-8-12/h1-2,5-10H,3-4,11H2,(H2,17,19,20).
What are the key properties of 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine?
4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine has a molecular weight of 280.33 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-pyridin-4-ylpropoxy)quinazolin-2-amine is sourced from PubChem (CID 80845389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).