1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine

C25H28N4 — CID 141424335

IUPAC1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2ccnc3ccc(-c4ccc5[nH]ccc5c4)cc23)CC1
InChIInChI=1S/C25H28N4/c1-28(2)17-18-9-13-29(14-10-18)25-8-12-27-24-6-4-20(16-22(24)25)19-3-5-23-21(15-19)7-11-26-23/h3-8,11-12,15-16,18,26H,9-10,13-14,17H2,1-2H3
InChIKeyHHNKEXUQKBWNJE-UHFFFAOYSA-N
MW384.53 g/mol
LogP5.16
Rot. Bonds4

About 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine

1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine (PubChem CID 141424335) has the molecular formula C25H28N4 and a molecular weight of 384.53 g/mol. Its IUPAC name is 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine.

Molecular Properties

Compound Name1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine
PubChem CID141424335
Molecular FormulaC25H28N4
Molecular Weight384.53 g/mol
Exact Mass384.23
IUPAC Name1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine
SMILESCN(C)CC1CCN(c2ccnc3ccc(-c4ccc5[nH]ccc5c4)cc23)CC1
InChIInChI=1S/C25H28N4/c1-28(2)17-18-9-13-29(14-10-18)25-8-12-27-24-6-4-20(16-22(24)25)19-3-5-23-21(15-19)7-11-26-23/h3-8,11-12,15-16,18,26H,9-10,13-14,17H2,1-2H3
InChIKeyHHNKEXUQKBWNJE-UHFFFAOYSA-N
XLogP5.16
TPSA35.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.53
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-Dimethyltryptamine
CID 6089
3,3'-Diindolylmethane
CID 3071
Gramine
CID 6890
Indalpine
CID 44668
Latrepirdine
CID 197033
(-)-Agroclavine
CID 73484
Ellipticine
CID 3213
N,N-Diethyltryptamine
CID 6090
Serdemetan
CID 11609586
Festuclavine
CID 332915
6,8-Dimethyl-8,9-didehydroergoline
CID 287403
Flortaucipir F-18
CID 70957463

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The IUPAC name of 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine (CID 141424335) is 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine.
What is the SMILES notation for 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The canonical SMILES for 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine is CN(C)CC1CCN(c2ccnc3ccc(-c4ccc5[nH]ccc5c4)cc23)CC1.
What is the InChIKey of 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
The InChIKey is HHNKEXUQKBWNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4/c1-28(2)17-18-9-13-29(14-10-18)25-8-12-27-24-6-4-20(16-22(24)25)19-3-5-23-21(15-19)7-11-26-23/h3-8,11-12,15-16,18,26H,9-10,13-14,17H2,1-2H3.
What are the key properties of 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine?
1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine has a molecular weight of 384.53 g/mol, XLogP of 5.16, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-(1H-indol-5-yl)quinolin-4-yl]piperidin-4-yl]-N,N-dimethylmethanamine is sourced from PubChem (CID 141424335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).