N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine

C24H23N3 — CID 2832014

IUPACN-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine
SMILESc1ccc2cc3c(Nc4ccc(N5CCCCC5)cc4)ccnc3cc2c1
InChIInChI=1S/C24H23N3/c1-4-14-27(15-5-1)21-10-8-20(9-11-21)26-23-12-13-25-24-17-19-7-3-2-6-18(19)16-22(23)24/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,25,26)
InChIKeyVMJRSVFNMYUSKY-UHFFFAOYSA-N
MW353.47 g/mol
LogP6.12
Rot. Bonds3

About N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine

N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine (PubChem CID 2832014) has the molecular formula C24H23N3 and a molecular weight of 353.47 g/mol. Its IUPAC name is N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine.

Molecular Properties

Compound NameN-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine
PubChem CID2832014
Molecular FormulaC24H23N3
Molecular Weight353.47 g/mol
Exact Mass353.19
IUPAC NameN-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine
SMILESc1ccc2cc3c(Nc4ccc(N5CCCCC5)cc4)ccnc3cc2c1
InChIInChI=1S/C24H23N3/c1-4-14-27(15-5-1)21-10-8-20(9-11-21)26-23-12-13-25-24-17-19-7-3-2-6-18(19)16-22(23)24/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,25,26)
InChIKeyVMJRSVFNMYUSKY-UHFFFAOYSA-N
XLogP6.12
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 56.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine?
The IUPAC name of N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine (CID 2832014) is N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine.
What is the SMILES notation for N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine?
The canonical SMILES for N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine is c1ccc2cc3c(Nc4ccc(N5CCCCC5)cc4)ccnc3cc2c1.
What is the InChIKey of N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine?
The InChIKey is VMJRSVFNMYUSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3/c1-4-14-27(15-5-1)21-10-8-20(9-11-21)26-23-12-13-25-24-17-19-7-3-2-6-18(19)16-22(23)24/h2-3,6-13,16-17H,1,4-5,14-15H2,(H,25,26).
What are the key properties of N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine?
N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine has a molecular weight of 353.47 g/mol, XLogP of 6.12, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-piperidin-1-ylphenyl)benzo[g]quinolin-4-amine is sourced from PubChem (CID 2832014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).