6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline

C21H25FN4 — CID 176715475

IUPAC6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline
SMILESCCc1cc(F)c2nc(N3CCC(C)C3)c(-c3ccn(C)n3)c(C)c2c1
InChIInChI=1S/C21H25FN4/c1-5-15-10-16-14(3)19(18-7-8-25(4)24-18)21(23-20(16)17(22)11-15)26-9-6-13(2)12-26/h7-8,10-11,13H,5-6,9,12H2,1-4H3
InChIKeyCMNOWXUPOBOZTC-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.49
Rot. Bonds3

About 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline

6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline (PubChem CID 176715475) has the molecular formula C21H25FN4 and a molecular weight of 352.46 g/mol. Its IUPAC name is 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline.

Molecular Properties

Compound Name6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline
PubChem CID176715475
Molecular FormulaC21H25FN4
Molecular Weight352.46 g/mol
Exact Mass352.21
IUPAC Name6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline
SMILESCCc1cc(F)c2nc(N3CCC(C)C3)c(-c3ccn(C)n3)c(C)c2c1
InChIInChI=1S/C21H25FN4/c1-5-15-10-16-14(3)19(18-7-8-25(4)24-18)21(23-20(16)17(22)11-15)26-9-6-13(2)12-26/h7-8,10-11,13H,5-6,9,12H2,1-4H3
InChIKeyCMNOWXUPOBOZTC-UHFFFAOYSA-N
XLogP4.49
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[6-ethyl-8-fluoro-4-methyl-2-(3-methylpyrrolidin-1-yl)quinolin-3-yl]-3-methyl-1,2,4-oxadiazole;methanamine;1-methoxypropane
CID 176715508
ethane;1-[6-ethyl-8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]pyrrolidin-3-amine
CID 176715514
5-(6-ethyl-8-fluoro-4-methyl-2-pyrrolidin-1-ylquinolin-3-yl)-3-methyl-1,2,4-oxadiazole;7-oxaspiro[3.5]nonan-2-amine
CID 176715531
4-ethyl-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine;methane
CID 170581317
2-chloro-6-ethyl-8-fluoro-4-methylquinoline-3-carbonitrile
CID 137434420
5-bromo-3-fluoro-2-(3-methylpyrrolidin-1-yl)pyridine
CID 104919102
N-(cyclopropylmethyl)-3-fluoro-1-[8-fluoro-6-methoxy-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-amine
CID 142432317
1-[8-chloro-6-ethyl-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)quinolin-2-yl]piperidin-4-one
CID 137434132
1-[4,5-dimethyl-6-(1-methylpyrazol-3-yl)pyridazin-3-yl]piperidin-4-amine
CID 172718550
5-(bromomethyl)-3-methyl-2-(3-methylpyrrolidin-1-yl)pyridine
CID 107080841
4-(1,3-dimethylpyrazol-4-yl)-6-(3-methylpyrrolidin-1-yl)pyrimidin-2-amine
CID 175165632
1-[8-fluoro-4-methyl-3-(3-methyl-1,2,4-oxadiazol-5-yl)-6-propan-2-ylquinolin-2-yl]piperidin-4-amine
CID 142491959

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline?
The IUPAC name of 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline (CID 176715475) is 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline.
What is the SMILES notation for 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline?
The canonical SMILES for 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline is CCc1cc(F)c2nc(N3CCC(C)C3)c(-c3ccn(C)n3)c(C)c2c1.
What is the InChIKey of 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline?
The InChIKey is CMNOWXUPOBOZTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4/c1-5-15-10-16-14(3)19(18-7-8-25(4)24-18)21(23-20(16)17(22)11-15)26-9-6-13(2)12-26/h7-8,10-11,13H,5-6,9,12H2,1-4H3.
What are the key properties of 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline?
6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline has a molecular weight of 352.46 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-8-fluoro-4-methyl-3-(1-methylpyrazol-3-yl)-2-(3-methylpyrrolidin-1-yl)quinoline is sourced from PubChem (CID 176715475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).