4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine

C16H22N4 — CID 103505104

IUPAC4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
SMILESCC(C)C1CCN(c2ncnc3cc(N)ccc23)CC1
InChIInChI=1S/C16H22N4/c1-11(2)12-5-7-20(8-6-12)16-14-4-3-13(17)9-15(14)18-10-19-16/h3-4,9-12H,5-8,17H2,1-2H3
InChIKeyJQDIZIYGUSONPE-UHFFFAOYSA-N
MW270.38 g/mol
LogP3.08
Rot. Bonds2

About 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine

4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine (PubChem CID 103505104) has the molecular formula C16H22N4 and a molecular weight of 270.38 g/mol. Its IUPAC name is 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine.

Molecular Properties

Compound Name4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
PubChem CID103505104
Molecular FormulaC16H22N4
Molecular Weight270.38 g/mol
Exact Mass270.18
IUPAC Name4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine
SMILESCC(C)C1CCN(c2ncnc3cc(N)ccc23)CC1
InChIInChI=1S/C16H22N4/c1-11(2)12-5-7-20(8-6-12)16-14-4-3-13(17)9-15(14)18-10-19-16/h3-4,9-12H,5-8,17H2,1-2H3
InChIKeyJQDIZIYGUSONPE-UHFFFAOYSA-N
XLogP3.08
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine?
The IUPAC name of 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine (CID 103505104) is 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine.
What is the SMILES notation for 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine?
The canonical SMILES for 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine is CC(C)C1CCN(c2ncnc3cc(N)ccc23)CC1.
What is the InChIKey of 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine?
The InChIKey is JQDIZIYGUSONPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4/c1-11(2)12-5-7-20(8-6-12)16-14-4-3-13(17)9-15(14)18-10-19-16/h3-4,9-12H,5-8,17H2,1-2H3.
What are the key properties of 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine?
4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine has a molecular weight of 270.38 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-propan-2-ylpiperidin-1-yl)quinazolin-7-amine is sourced from PubChem (CID 103505104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).