(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

C19H19FN4O — CID 56825019

IUPAC(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCCC1c1cnn(C)c1
InChIInChI=1S/C19H19FN4O/c1-12-16(8-13-5-6-15(20)9-17(13)22-12)19(25)24-7-3-4-18(24)14-10-21-23(2)11-14/h5-6,8-11,18H,3-4,7H2,1-2H3
InChIKeyLXVRNCZWTUEQCV-UHFFFAOYSA-N
MW338.39 g/mol
LogP3.39
Rot. Bonds2

About (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone

(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (PubChem CID 56825019) has the molecular formula C19H19FN4O and a molecular weight of 338.39 g/mol. Its IUPAC name is (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
PubChem CID56825019
Molecular FormulaC19H19FN4O
Molecular Weight338.39 g/mol
Exact Mass338.15
IUPAC Name(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
SMILESCc1nc2cc(F)ccc2cc1C(=O)N1CCCC1c1cnn(C)c1
InChIInChI=1S/C19H19FN4O/c1-12-16(8-13-5-6-15(20)9-17(13)22-12)19(25)24-7-3-4-18(24)14-10-21-23(2)11-14/h5-6,8-11,18H,3-4,7H2,1-2H3
InChIKeyLXVRNCZWTUEQCV-UHFFFAOYSA-N
XLogP3.39
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7-fluoro-2-methylquinolin-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 18127031
(2,7-dimethylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)piperazin-1-yl]methanone
CID 126767718
[3-(4-fluorophenyl)-1H-pyrazol-5-yl]-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone
CID 95308695
(6-fluoro-2-methylquinolin-3-yl)-[(2R)-2-(3-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 92627940
(2,4-dimethylpiperazin-1-yl)-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 71877137
7-fluoro-2-methyl-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]quinoline-3-carboxamide
CID 126766818
[(4aR,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-(7-fluoro-2-methylquinolin-3-yl)methanone
CID 94643322
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,3,6-trimethylpyrazolo[3,4-b]pyridin-4-yl)methanone
CID 95309286
3-[(2R)-1-(7-fluoro-2-methylquinoline-3-carbonyl)piperidin-2-yl]propanoic acid
CID 124697534
(7-fluoro-2-methylquinolin-3-yl)-(4-hydroxypiperidin-1-yl)methanone
CID 78838342
[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(6-methyl-2-pyridinyl)methanone
CID 95336725
(7-fluoro-2-methylquinolin-3-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120728867

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone (CID 56825019) is (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is Cc1nc2cc(F)ccc2cc1C(=O)N1CCCC1c1cnn(C)c1.
What is the InChIKey of (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
The InChIKey is LXVRNCZWTUEQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O/c1-12-16(8-13-5-6-15(20)9-17(13)22-12)19(25)24-7-3-4-18(24)14-10-21-23(2)11-14/h5-6,8-11,18H,3-4,7H2,1-2H3.
What are the key properties of (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone?
(7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone has a molecular weight of 338.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-2-methylquinolin-3-yl)-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56825019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).