2-piperidin-1-ylquinazolin-4-amine;hydrochloride

C13H17ClN4 — CID 6603338

IUPAC2-piperidin-1-ylquinazolin-4-amine;hydrochloride
SMILESCl.Nc1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C13H16N4.ClH/c14-12-10-6-2-3-7-11(10)15-13(16-12)17-8-4-1-5-9-17;/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,16);1H
InChIKeyLEPKIIFEDKRRHO-UHFFFAOYSA-N
MW264.76 g/mol
LogP2.62
Rot. Bonds1

About 2-piperidin-1-ylquinazolin-4-amine;hydrochloride

2-piperidin-1-ylquinazolin-4-amine;hydrochloride (PubChem CID 6603338) has the molecular formula C13H17ClN4 and a molecular weight of 264.76 g/mol. Its IUPAC name is 2-piperidin-1-ylquinazolin-4-amine;hydrochloride.

Molecular Properties

Compound Name2-piperidin-1-ylquinazolin-4-amine;hydrochloride
PubChem CID6603338
Molecular FormulaC13H17ClN4
Molecular Weight264.76 g/mol
Exact Mass264.11
IUPAC Name2-piperidin-1-ylquinazolin-4-amine;hydrochloride
SMILESCl.Nc1nc(N2CCCCC2)nc2ccccc12
InChIInChI=1S/C13H16N4.ClH/c14-12-10-6-2-3-7-11(10)15-13(16-12)17-8-4-1-5-9-17;/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,16);1H
InChIKeyLEPKIIFEDKRRHO-UHFFFAOYSA-N
XLogP2.62
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The IUPAC name of 2-piperidin-1-ylquinazolin-4-amine;hydrochloride (CID 6603338) is 2-piperidin-1-ylquinazolin-4-amine;hydrochloride.
What is the SMILES notation for 2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The canonical SMILES for 2-piperidin-1-ylquinazolin-4-amine;hydrochloride is Cl.Nc1nc(N2CCCCC2)nc2ccccc12.
What is the InChIKey of 2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
The InChIKey is LEPKIIFEDKRRHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4.ClH/c14-12-10-6-2-3-7-11(10)15-13(16-12)17-8-4-1-5-9-17;/h2-3,6-7H,1,4-5,8-9H2,(H2,14,15,16);1H.
What are the key properties of 2-piperidin-1-ylquinazolin-4-amine;hydrochloride?
2-piperidin-1-ylquinazolin-4-amine;hydrochloride has a molecular weight of 264.76 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-piperidin-1-ylquinazolin-4-amine;hydrochloride is sourced from PubChem (CID 6603338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).