N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine

C24H33N3O — CID 91395388

IUPACN-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine
SMILESCCN1CCCc2cc(OC)c(CNC3CCCNC3c3ccccc3)cc21
InChIInChI=1S/C24H33N3O/c1-3-27-14-8-11-19-16-23(28-2)20(15-22(19)27)17-26-21-12-7-13-25-24(21)18-9-5-4-6-10-18/h4-6,9-10,15-16,21,24-26H,3,7-8,11-14,17H2,1-2H3
InChIKeyIOHNQXIFMOMPRQ-UHFFFAOYSA-N
MW379.55 g/mol
LogP4.05
Rot. Bonds6

About N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine

N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine (PubChem CID 91395388) has the molecular formula C24H33N3O and a molecular weight of 379.55 g/mol. Its IUPAC name is N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine.

Molecular Properties

Compound NameN-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine
PubChem CID91395388
Molecular FormulaC24H33N3O
Molecular Weight379.55 g/mol
Exact Mass379.26
IUPAC NameN-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine
SMILESCCN1CCCc2cc(OC)c(CNC3CCCNC3c3ccccc3)cc21
InChIInChI=1S/C24H33N3O/c1-3-27-14-8-11-19-16-23(28-2)20(15-22(19)27)17-26-21-12-7-13-25-24(21)18-9-5-4-6-10-18/h4-6,9-10,15-16,21,24-26H,3,7-8,11-14,17H2,1-2H3
InChIKeyIOHNQXIFMOMPRQ-UHFFFAOYSA-N
XLogP4.05
TPSA36.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.55
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine?
The IUPAC name of N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine (CID 91395388) is N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine.
What is the SMILES notation for N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine?
The canonical SMILES for N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine is CCN1CCCc2cc(OC)c(CNC3CCCNC3c3ccccc3)cc21.
What is the InChIKey of N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine?
The InChIKey is IOHNQXIFMOMPRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N3O/c1-3-27-14-8-11-19-16-23(28-2)20(15-22(19)27)17-26-21-12-7-13-25-24(21)18-9-5-4-6-10-18/h4-6,9-10,15-16,21,24-26H,3,7-8,11-14,17H2,1-2H3.
What are the key properties of N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine?
N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine has a molecular weight of 379.55 g/mol, XLogP of 4.05, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-ethyl-6-methoxy-3,4-dihydro-2H-quinolin-7-yl)methyl]-2-phenylpiperidin-3-amine is sourced from PubChem (CID 91395388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).