4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline

C17H18N4 — CID 126946631

IUPAC4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
SMILESCc1cc(N2CCC(n3cccn3)C2)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-13-11-17(19-16-6-3-2-5-15(13)16)20-10-7-14(12-20)21-9-4-8-18-21/h2-6,8-9,11,14H,7,10,12H2,1H3
InChIKeyGMFFOPIQALICIQ-UHFFFAOYSA-N
MW278.36 g/mol
LogP3.19
Rot. Bonds2

About 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline

4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline (PubChem CID 126946631) has the molecular formula C17H18N4 and a molecular weight of 278.36 g/mol. Its IUPAC name is 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline.

Molecular Properties

Compound Name4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
PubChem CID126946631
Molecular FormulaC17H18N4
Molecular Weight278.36 g/mol
Exact Mass278.15
IUPAC Name4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline
SMILESCc1cc(N2CCC(n3cccn3)C2)nc2ccccc12
InChIInChI=1S/C17H18N4/c1-13-11-17(19-16-6-3-2-5-15(13)16)20-10-7-14(12-20)21-9-4-8-18-21/h2-6,8-9,11,14H,7,10,12H2,1H3
InChIKeyGMFFOPIQALICIQ-UHFFFAOYSA-N
XLogP3.19
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.36
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4R)-4-(4-hydroxypiperidin-1-yl)-1-(4-methylquinolin-2-yl)piperidin-3-ol
CID 56875982
2-[3-(4-bromopyrazol-1-yl)azetidin-1-yl]-4-methylquinoline
CID 126901546
2-methyl-3-(3-pyrazol-1-ylpiperidin-1-yl)quinoxaline
CID 133275794
4-phenyl-2-(3-pyrazol-1-ylpiperidin-1-yl)quinazoline
CID 133275818
4-methyl-2-[3-(pyridin-4-yloxymethyl)pyrrolidin-1-yl]quinoline
CID 171998224
2-methyl-4-(3-pyrazol-1-ylpyrrolidin-1-yl)pyridine
CID 126946437
(2S,6S)-2,6-dimethyl-4-(4-methylquinolin-2-yl)morpholine
CID 705234
4-methyl-2-piperazin-1-ylquinoline
CID 598754
1-(4-methylquinolin-2-yl)-N-pyrimidin-2-ylpiperidine-4-carboxamide
CID 75479378
2-[3-(4-methylpyrazol-1-yl)pyrrolidin-1-yl]quinoxaline
CID 126947471
1-[1-(4-methylquinolin-2-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901090
4,5-dimethyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)-1,3-thiazole
CID 126946675

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline?
The IUPAC name of 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline (CID 126946631) is 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline.
What is the SMILES notation for 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline?
The canonical SMILES for 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline is Cc1cc(N2CCC(n3cccn3)C2)nc2ccccc12.
What is the InChIKey of 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline?
The InChIKey is GMFFOPIQALICIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4/c1-13-11-17(19-16-6-3-2-5-15(13)16)20-10-7-14(12-20)21-9-4-8-18-21/h2-6,8-9,11,14H,7,10,12H2,1H3.
What are the key properties of 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline?
4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline has a molecular weight of 278.36 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-(3-pyrazol-1-ylpyrrolidin-1-yl)quinoline is sourced from PubChem (CID 126946631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).