2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine

C19H27N5 — CID 133454441

IUPAC2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
SMILESNc1nc(N2CCCC(N3CCCCCC3)C2)nc2ccccc12
InChIInChI=1S/C19H27N5/c20-18-16-9-3-4-10-17(16)21-19(22-18)24-13-7-8-15(14-24)23-11-5-1-2-6-12-23/h3-4,9-10,15H,1-2,5-8,11-14H2,(H2,20,21,22)
InChIKeyXWFYHUDHUKYUNG-UHFFFAOYSA-N
MW325.46 g/mol
LogP3.06
Rot. Bonds2

About 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine

2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine (PubChem CID 133454441) has the molecular formula C19H27N5 and a molecular weight of 325.46 g/mol. Its IUPAC name is 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine.

Molecular Properties

Compound Name2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
PubChem CID133454441
Molecular FormulaC19H27N5
Molecular Weight325.46 g/mol
Exact Mass325.23
IUPAC Name2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine
SMILESNc1nc(N2CCCC(N3CCCCCC3)C2)nc2ccccc12
InChIInChI=1S/C19H27N5/c20-18-16-9-3-4-10-17(16)21-19(22-18)24-13-7-8-15(14-24)23-11-5-1-2-6-12-23/h3-4,9-10,15H,1-2,5-8,11-14H2,(H2,20,21,22)
InChIKeyXWFYHUDHUKYUNG-UHFFFAOYSA-N
XLogP3.06
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine?
The IUPAC name of 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine (CID 133454441) is 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine.
What is the SMILES notation for 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine?
The canonical SMILES for 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine is Nc1nc(N2CCCC(N3CCCCCC3)C2)nc2ccccc12.
What is the InChIKey of 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine?
The InChIKey is XWFYHUDHUKYUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5/c20-18-16-9-3-4-10-17(16)21-19(22-18)24-13-7-8-15(14-24)23-11-5-1-2-6-12-23/h3-4,9-10,15H,1-2,5-8,11-14H2,(H2,20,21,22).
What are the key properties of 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine?
2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine has a molecular weight of 325.46 g/mol, XLogP of 3.06, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(azepan-1-yl)piperidin-1-yl]quinazolin-4-amine is sourced from PubChem (CID 133454441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).