2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline

C19H22N4 — CID 166296007

IUPAC2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
SMILESCc1ccc2cc(CN3CCCC3c3ccn(C)n3)ccc2n1
InChIInChI=1S/C19H22N4/c1-14-5-7-16-12-15(6-8-17(16)20-14)13-23-10-3-4-19(23)18-9-11-22(2)21-18/h5-9,11-12,19H,3-4,10,13H2,1-2H3
InChIKeySWCHTJAQCRFLAX-UHFFFAOYSA-N
MW306.41 g/mol
LogP3.61
Rot. Bonds3

About 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline

2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline (PubChem CID 166296007) has the molecular formula C19H22N4 and a molecular weight of 306.41 g/mol. Its IUPAC name is 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
PubChem CID166296007
Molecular FormulaC19H22N4
Molecular Weight306.41 g/mol
Exact Mass306.18
IUPAC Name2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline
SMILESCc1ccc2cc(CN3CCCC3c3ccn(C)n3)ccc2n1
InChIInChI=1S/C19H22N4/c1-14-5-7-16-12-15(6-8-17(16)20-14)13-23-10-3-4-19(23)18-9-11-22(2)21-18/h5-9,11-12,19H,3-4,10,13H2,1-2H3
InChIKeySWCHTJAQCRFLAX-UHFFFAOYSA-N
XLogP3.61
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 46952899
[1-[(2-methylquinolin-6-yl)methyl]pyrrolidin-2-yl]methanamine;hydrochloride
CID 120841918
2-methoxy-5-[[(2R)-2-(1-methylpyrazol-3-yl)azepan-1-yl]methyl]phenol
CID 92567238
(2R)-1-[(3,5-difluorophenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 92567229
1-[(3-fluorophenyl)methyl]-2-(1-methylpyrazol-3-yl)azepane
CID 46952888
2,6-dimethoxy-4-[[(2S)-2-(1-methylpyrazol-3-yl)azepan-1-yl]methyl]phenol
CID 92567225
N-methyl-1-[(2-methylquinolin-6-yl)methyl]piperidin-3-amine
CID 105378976
(3R)-1,3-dimethyl-4-[(2-methylquinolin-6-yl)methyl]piperazin-2-one
CID 99826047
6-[[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]methyl]quinoline
CID 124986639
[4-methyl-1-[(2-methylquinolin-6-yl)methyl]piperazin-2-yl]methanamine
CID 105379017
6-[(3-methoxypiperidin-1-yl)methyl]-2-methylquinoline
CID 126778484
2-methyl-6-[(3-methylpyrrolidin-1-yl)methyl]quinoline
CID 170707754

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline?
The IUPAC name of 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline (CID 166296007) is 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline.
What is the SMILES notation for 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline?
The canonical SMILES for 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline is Cc1ccc2cc(CN3CCCC3c3ccn(C)n3)ccc2n1.
What is the InChIKey of 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline?
The InChIKey is SWCHTJAQCRFLAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4/c1-14-5-7-16-12-15(6-8-17(16)20-14)13-23-10-3-4-19(23)18-9-11-22(2)21-18/h5-9,11-12,19H,3-4,10,13H2,1-2H3.
What are the key properties of 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline?
2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline has a molecular weight of 306.41 g/mol, XLogP of 3.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[[2-(1-methylpyrazol-3-yl)pyrrolidin-1-yl]methyl]quinoline is sourced from PubChem (CID 166296007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).