2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine

C21H25N3 — CID 709466

IUPAC2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine
SMILESCc1cc(NCCN2CCCCC2)c2ccc3ccccc3c2n1
InChIInChI=1S/C21H25N3/c1-16-15-20(22-11-14-24-12-5-2-6-13-24)19-10-9-17-7-3-4-8-18(17)21(19)23-16/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,23)
InChIKeyQITUAKDIBCEXLI-UHFFFAOYSA-N
MW319.45 g/mol
LogP4.59
Rot. Bonds4

About 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine

2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine (PubChem CID 709466) has the molecular formula C21H25N3 and a molecular weight of 319.45 g/mol. Its IUPAC name is 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine.

Molecular Properties

Compound Name2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine
PubChem CID709466
Molecular FormulaC21H25N3
Molecular Weight319.45 g/mol
Exact Mass319.20
IUPAC Name2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine
SMILESCc1cc(NCCN2CCCCC2)c2ccc3ccccc3c2n1
InChIInChI=1S/C21H25N3/c1-16-15-20(22-11-14-24-12-5-2-6-13-24)19-10-9-17-7-3-4-8-18(17)21(19)23-16/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,23)
InChIKeyQITUAKDIBCEXLI-UHFFFAOYSA-N
XLogP4.59
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.45
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine?
The IUPAC name of 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine (CID 709466) is 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine.
What is the SMILES notation for 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine?
The canonical SMILES for 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine is Cc1cc(NCCN2CCCCC2)c2ccc3ccccc3c2n1.
What is the InChIKey of 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine?
The InChIKey is QITUAKDIBCEXLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3/c1-16-15-20(22-11-14-24-12-5-2-6-13-24)19-10-9-17-7-3-4-8-18(17)21(19)23-16/h3-4,7-10,15H,2,5-6,11-14H2,1H3,(H,22,23).
What are the key properties of 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine?
2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine has a molecular weight of 319.45 g/mol, XLogP of 4.59, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-piperidin-1-ylethyl)benzo[h]quinolin-4-amine is sourced from PubChem (CID 709466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).