6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline

C27H29N3 — CID 122180810

IUPAC6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline
SMILESc1cnc2ccc(CC[C@H]3CCC[C@@H](CCc4ccc5ncccc5c4)N3)cc2c1
InChIInChI=1S/C27H29N3/c1-6-24(12-8-20-10-14-26-22(18-20)4-2-16-28-26)30-25(7-1)13-9-21-11-15-27-23(19-21)5-3-17-29-27/h2-5,10-11,14-19,24-25,30H,1,6-9,12-13H2/t24-,25+
InChIKeyXSYQEDYFLKAECZ-PLQXJYEYSA-N
MW395.55 g/mol
LogP5.86
Rot. Bonds6

About 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline

6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline (PubChem CID 122180810) has the molecular formula C27H29N3 and a molecular weight of 395.55 g/mol. Its IUPAC name is 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline.

Molecular Properties

Compound Name6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline
PubChem CID122180810
Molecular FormulaC27H29N3
Molecular Weight395.55 g/mol
Exact Mass395.24
IUPAC Name6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline
SMILESc1cnc2ccc(CC[C@H]3CCC[C@@H](CCc4ccc5ncccc5c4)N3)cc2c1
InChIInChI=1S/C27H29N3/c1-6-24(12-8-20-10-14-26-22(18-20)4-2-16-28-26)30-25(7-1)13-9-21-11-15-27-23(19-21)5-3-17-29-27/h2-5,10-11,14-19,24-25,30H,1,6-9,12-13H2/t24-,25+
InChIKeyXSYQEDYFLKAECZ-PLQXJYEYSA-N
XLogP5.86
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline with MolForge

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Related Compounds

6-Methylquinoline
CID 7059
1,7-Phenanthroline
CID 67473
Bis(7)-tacrine
CID 9549196
4-(4-Dimethylaminostyryl)quinoline
CID 668053
PF-750
CID 25154868
4-Piperazin-1-yl-quinoline
CID 1534386
2-Phenyl-4-(2-(4-piperidinyl)ethyl)quinoline
CID 71219
Quindecamine
CID 21943
N-[2-(1H-indol-3-yl)ethyl]acridin-9-amine
CID 2946841
Bis(3)-cognitin
CID 12069888
Cryptocyanin
CID 5351156
N-3-Pyridinyl-9-acridinamine
CID 53313

Frequently Asked Questions

What is the IUPAC name of 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline?
The IUPAC name of 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline (CID 122180810) is 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline.
What is the SMILES notation for 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline?
The canonical SMILES for 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline is c1cnc2ccc(CC[C@H]3CCC[C@@H](CCc4ccc5ncccc5c4)N3)cc2c1.
What is the InChIKey of 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline?
The InChIKey is XSYQEDYFLKAECZ-PLQXJYEYSA-N. The full InChI is InChI=1S/C27H29N3/c1-6-24(12-8-20-10-14-26-22(18-20)4-2-16-28-26)30-25(7-1)13-9-21-11-15-27-23(19-21)5-3-17-29-27/h2-5,10-11,14-19,24-25,30H,1,6-9,12-13H2/t24-,25+.
What are the key properties of 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline?
6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline has a molecular weight of 395.55 g/mol, XLogP of 5.86, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[(2R,6S)-6-(2-quinolin-6-ylethyl)piperidin-2-yl]ethyl]quinoline is sourced from PubChem (CID 122180810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).