N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine

C23H27N3O — CID 10067161

IUPACN-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine
SMILESc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25)
InChIKeyONLSHDMBVNRMPI-UHFFFAOYSA-N
MW361.49 g/mol
LogP5.23
Rot. Bonds7

About N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine

N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine (PubChem CID 10067161) has the molecular formula C23H27N3O and a molecular weight of 361.49 g/mol. Its IUPAC name is N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine.

Molecular Properties

Compound NameN-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine
PubChem CID10067161
Molecular FormulaC23H27N3O
Molecular Weight361.49 g/mol
Exact Mass361.22
IUPAC NameN-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine
SMILESc1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1
InChIInChI=1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25)
InChIKeyONLSHDMBVNRMPI-UHFFFAOYSA-N
XLogP5.23
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.49
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine?
The IUPAC name of N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine (CID 10067161) is N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine.
What is the SMILES notation for N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine?
The canonical SMILES for N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine is c1ccc2c(Nc3ccc(OCCCN4CCCCC4)cc3)ccnc2c1.
What is the InChIKey of N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine?
The InChIKey is ONLSHDMBVNRMPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O/c1-4-15-26(16-5-1)17-6-18-27-20-11-9-19(10-12-20)25-23-13-14-24-22-8-3-2-7-21(22)23/h2-3,7-14H,1,4-6,15-18H2,(H,24,25).
What are the key properties of N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine?
N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine has a molecular weight of 361.49 g/mol, XLogP of 5.23, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-piperidin-1-ylpropoxy)phenyl]quinolin-4-amine is sourced from PubChem (CID 10067161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).