4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine

C17H20N4 — CID 56950109

IUPAC4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1nc2c(c(N3CCCCC3)n1)CCc1ccccc1-2
InChIInChI=1S/C17H20N4/c18-17-19-15-13-7-3-2-6-12(13)8-9-14(15)16(20-17)21-10-4-1-5-11-21/h2-3,6-7H,1,4-5,8-11H2,(H2,18,19,20)
InChIKeyWOTJWFYAOAXQQZ-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.81
Rot. Bonds1

About 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine

4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine (PubChem CID 56950109) has the molecular formula C17H20N4 and a molecular weight of 280.37 g/mol. Its IUPAC name is 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine.

Molecular Properties

Compound Name4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
PubChem CID56950109
Molecular FormulaC17H20N4
Molecular Weight280.37 g/mol
Exact Mass280.17
IUPAC Name4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine
SMILESNc1nc2c(c(N3CCCCC3)n1)CCc1ccccc1-2
InChIInChI=1S/C17H20N4/c18-17-19-15-13-7-3-2-6-12(13)8-9-14(15)16(20-17)21-10-4-1-5-11-21/h2-3,6-7H,1,4-5,8-11H2,(H2,18,19,20)
InChIKeyWOTJWFYAOAXQQZ-UHFFFAOYSA-N
XLogP2.81
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The IUPAC name of 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine (CID 56950109) is 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine.
What is the SMILES notation for 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The canonical SMILES for 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine is Nc1nc2c(c(N3CCCCC3)n1)CCc1ccccc1-2.
What is the InChIKey of 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
The InChIKey is WOTJWFYAOAXQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c18-17-19-15-13-7-3-2-6-12(13)8-9-14(15)16(20-17)21-10-4-1-5-11-21/h2-3,6-7H,1,4-5,8-11H2,(H2,18,19,20).
What are the key properties of 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine?
4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine has a molecular weight of 280.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-piperidin-1-yl-5,6-dihydrobenzo[h]quinazolin-2-amine is sourced from PubChem (CID 56950109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).