2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone

C20H22N4O — CID 169412361

IUPAC2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(-c2cnn(C)c2)nc2ccc(CC(=O)N3CCCC3)cc12
InChIInChI=1S/C20H22N4O/c1-14-9-19(16-12-21-23(2)13-16)22-18-6-5-15(10-17(14)18)11-20(25)24-7-3-4-8-24/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3
InChIKeyKYRFLMHDDRRBJY-UHFFFAOYSA-N
MW334.42 g/mol
LogP3.11
Rot. Bonds3

About 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone

2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 169412361) has the molecular formula C20H22N4O and a molecular weight of 334.42 g/mol. Its IUPAC name is 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
PubChem CID169412361
Molecular FormulaC20H22N4O
Molecular Weight334.42 g/mol
Exact Mass334.18
IUPAC Name2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1cc(-c2cnn(C)c2)nc2ccc(CC(=O)N3CCCC3)cc12
InChIInChI=1S/C20H22N4O/c1-14-9-19(16-12-21-23(2)13-16)22-18-6-5-15(10-17(14)18)11-20(25)24-7-3-4-8-24/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3
InChIKeyKYRFLMHDDRRBJY-UHFFFAOYSA-N
XLogP3.11
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methyl-2-(1,2-thiazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 169411675
2-[4-methyl-2-(3-methylphenyl)quinolin-6-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 170511551
formic acid;4-methyl-2-(1-methylpyrazol-4-yl)-6-[(5-methyl-1H-1,2,4-triazol-3-yl)methyl]quinoline
CID 171339678
2-[4-cyclopropyl-2-(2-methylpyrazol-3-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone
CID 170511024
2-(2-methyl-3H-benzimidazol-5-yl)-1-pyrrolidin-1-ylethanone
CID 110772537
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518978
N-[6-methoxy-4-methyl-2-(1-methylpyrazol-4-yl)quinolin-7-yl]acetamide
CID 169414607
2-[4-[7-(hydroxymethyl)-4-methylquinolin-2-yl]phenoxy]-1-piperidin-1-ylethanone
CID 170511844
[(1R,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-[6-ethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 133113227
2-(1-methylpyrazol-4-yl)quinoline-4-carboxylate
CID 7017781
N-cyclopropyl-2-[2-(4-fluorophenyl)-4-methylquinolin-6-yl]acetamide
CID 170505736
3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazole-5-carboxylic acid
CID 118959944

Frequently Asked Questions

What is the IUPAC name of 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone (CID 169412361) is 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone is Cc1cc(-c2cnn(C)c2)nc2ccc(CC(=O)N3CCCC3)cc12.
What is the InChIKey of 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is KYRFLMHDDRRBJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O/c1-14-9-19(16-12-21-23(2)13-16)22-18-6-5-15(10-17(14)18)11-20(25)24-7-3-4-8-24/h5-6,9-10,12-13H,3-4,7-8,11H2,1-2H3.
What are the key properties of 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone?
2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 334.42 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methyl-2-(1-methylpyrazol-4-yl)quinolin-6-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 169412361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).