2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline

C21H27N3 — CID 175802649

IUPAC2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline
SMILESC[C@H]1CC=C(c2ccc3ccc(C4CCN(C)CC4)nc3c2)NC1
InChIInChI=1S/C21H27N3/c1-15-3-7-19(22-14-15)18-5-4-16-6-8-20(23-21(16)13-18)17-9-11-24(2)12-10-17/h4-8,13,15,17,22H,3,9-12,14H2,1-2H3/t15-/m0/s1
InChIKeyVEQYKSALTIERRV-HNNXBMFYSA-N
MW321.47 g/mol
LogP4.01
Rot. Bonds2

About 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline

2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline (PubChem CID 175802649) has the molecular formula C21H27N3 and a molecular weight of 321.47 g/mol. Its IUPAC name is 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline.

Molecular Properties

Compound Name2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline
PubChem CID175802649
Molecular FormulaC21H27N3
Molecular Weight321.47 g/mol
Exact Mass321.22
IUPAC Name2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline
SMILESC[C@H]1CC=C(c2ccc3ccc(C4CCN(C)CC4)nc3c2)NC1
InChIInChI=1S/C21H27N3/c1-15-3-7-19(22-14-15)18-5-4-16-6-8-20(23-21(16)13-18)17-9-11-24(2)12-10-17/h4-8,13,15,17,22H,3,9-12,14H2,1-2H3/t15-/m0/s1
InChIKeyVEQYKSALTIERRV-HNNXBMFYSA-N
XLogP4.01
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.47
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline with MolForge

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Related Compounds

(3S)-3-methyl-6-[2-methyl-1-[2-(1-methylpiperidin-4-yl)quinolin-7-yl]propan-2-yl]-3,4-dihydro-2H-pyridine-1-carboxylic acid
CID 175470935
5-(3-methyl-1,2,3,4-tetrahydropyridin-6-yl)-2-(1,2,2,6,6-pentamethylpiperidin-4-yl)indazole
CID 164753147
(1Z)-N,N-dimethyl-1-[6-methylidene-3-[2-(1-methylpiperidin-4-yl)quinolin-6-yl]cyclohexa-2,4-dien-1-ylidene]methanamine
CID 142492328
2,3-dichloro-6-(1-methylpiperidin-4-yl)pyridine
CID 138668007
tert-butyl 3-methyl-6-[3-methyl-2-(1-methylpiperidin-4-yl)quinolin-7-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164751588
tert-butyl (3S)-3-methyl-6-[2-(1-methylpiperidin-4-yl)-1,3-benzothiazol-5-yl]-3,4-dihydro-2H-pyridine-1-carboxylate
CID 164750948
6-(1-methylpiperidin-4-yl)-N-pyrimidin-2-ylpyridazin-3-amine
CID 175798659
1-methyl-4-[3-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine
CID 58097390
N-methyl-6-(1-methylpiperidin-4-yl)pyridazin-3-amine
CID 116973161
2-chloro-6-(1-methylpiperidin-4-yl)pyridine-3-carbonitrile
CID 115041246
4-(1-methylpiperidin-4-yl)pyrimidine-2-carboxamide
CID 116904091
1,3-dimethylpiperidine;2-(1-methylpiperidin-4-yl)-1,3-benzothiazole
CID 178053049

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline?
The IUPAC name of 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline (CID 175802649) is 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline.
What is the SMILES notation for 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline?
The canonical SMILES for 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline is C[C@H]1CC=C(c2ccc3ccc(C4CCN(C)CC4)nc3c2)NC1.
What is the InChIKey of 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline?
The InChIKey is VEQYKSALTIERRV-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H27N3/c1-15-3-7-19(22-14-15)18-5-4-16-6-8-20(23-21(16)13-18)17-9-11-24(2)12-10-17/h4-8,13,15,17,22H,3,9-12,14H2,1-2H3/t15-/m0/s1.
What are the key properties of 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline?
2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline has a molecular weight of 321.47 g/mol, XLogP of 4.01, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylpiperidin-4-yl)-7-[(3S)-3-methyl-1,2,3,4-tetrahydropyridin-6-yl]quinoline is sourced from PubChem (CID 175802649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).