5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine

C21H28N4 — CID 162653290

IUPAC5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine
SMILESCC(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCNCC1
InChIInChI=1S/C21H28N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12-14,23H,6-9,11H2,1-3H3,(H2,22,24,25)
InChIKeyCNGSNUTWNSIBNM-UHFFFAOYSA-N
MW336.48 g/mol
LogP3.66
Rot. Bonds2

About 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine

5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine (PubChem CID 162653290) has the molecular formula C21H28N4 and a molecular weight of 336.48 g/mol. Its IUPAC name is 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine.

Molecular Properties

Compound Name5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine
PubChem CID162653290
Molecular FormulaC21H28N4
Molecular Weight336.48 g/mol
Exact Mass336.23
IUPAC Name5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine
SMILESCC(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCNCC1
InChIInChI=1S/C21H28N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12-14,23H,6-9,11H2,1-3H3,(H2,22,24,25)
InChIKeyCNGSNUTWNSIBNM-UHFFFAOYSA-N
XLogP3.66
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.48
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine?
The IUPAC name of 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine (CID 162653290) is 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine.
What is the SMILES notation for 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine?
The canonical SMILES for 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine is CC(c1ccc2c(c1)CC(C)(C)c1c(N)ncnc1-2)C1CCNCC1.
What is the InChIKey of 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine?
The InChIKey is CNGSNUTWNSIBNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4/c1-13(14-6-8-23-9-7-14)15-4-5-17-16(10-15)11-21(2,3)18-19(17)24-12-25-20(18)22/h4-5,10,12-14,23H,6-9,11H2,1-3H3,(H2,22,24,25).
What are the key properties of 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine?
5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine has a molecular weight of 336.48 g/mol, XLogP of 3.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dimethyl-8-(1-piperidin-4-ylethyl)-6H-benzo[h]quinazolin-4-amine is sourced from PubChem (CID 162653290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).