10-phenyl-5-piperidin-1-ylbenzo[h]quinoline

C24H22N2 — CID 102579281

IUPAC10-phenyl-5-piperidin-1-ylbenzo[h]quinoline
SMILESc1ccc(-c2cccc3cc(N4CCCCC4)c4cccnc4c23)cc1
InChIInChI=1S/C24H22N2/c1-3-9-18(10-4-1)20-12-7-11-19-17-22(26-15-5-2-6-16-26)21-13-8-14-25-24(21)23(19)20/h1,3-4,7-14,17H,2,5-6,15-16H2
InChIKeyMGEQJFNLUDGLBL-UHFFFAOYSA-N
MW338.45 g/mol
LogP6.05
Rot. Bonds2

About 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline

10-phenyl-5-piperidin-1-ylbenzo[h]quinoline (PubChem CID 102579281) has the molecular formula C24H22N2 and a molecular weight of 338.45 g/mol. Its IUPAC name is 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline.

Molecular Properties

Compound Name10-phenyl-5-piperidin-1-ylbenzo[h]quinoline
PubChem CID102579281
Molecular FormulaC24H22N2
Molecular Weight338.45 g/mol
Exact Mass338.18
IUPAC Name10-phenyl-5-piperidin-1-ylbenzo[h]quinoline
SMILESc1ccc(-c2cccc3cc(N4CCCCC4)c4cccnc4c23)cc1
InChIInChI=1S/C24H22N2/c1-3-9-18(10-4-1)20-12-7-11-19-17-22(26-15-5-2-6-16-26)21-13-8-14-25-24(21)23(19)20/h1,3-4,7-14,17H,2,5-6,15-16H2
InChIKeyMGEQJFNLUDGLBL-UHFFFAOYSA-N
XLogP6.05
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500338.45
LogP ≤ 56.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline?
The IUPAC name of 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline (CID 102579281) is 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline.
What is the SMILES notation for 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline?
The canonical SMILES for 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline is c1ccc(-c2cccc3cc(N4CCCCC4)c4cccnc4c23)cc1.
What is the InChIKey of 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline?
The InChIKey is MGEQJFNLUDGLBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2/c1-3-9-18(10-4-1)20-12-7-11-19-17-22(26-15-5-2-6-16-26)21-13-8-14-25-24(21)23(19)20/h1,3-4,7-14,17H,2,5-6,15-16H2.
What are the key properties of 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline?
10-phenyl-5-piperidin-1-ylbenzo[h]quinoline has a molecular weight of 338.45 g/mol, XLogP of 6.05, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-5-piperidin-1-ylbenzo[h]quinoline is sourced from PubChem (CID 102579281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).