[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

C22H24N4O — CID 95046285

IUPAC[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESCCc1ncc(-c2cc(C(=O)N3CCC[C@@H]3C)c3ccc(C)cc3n2)cn1
InChIInChI=1S/C22H24N4O/c1-4-21-23-12-16(13-24-21)19-11-18(22(27)26-9-5-6-15(26)3)17-8-7-14(2)10-20(17)25-19/h7-8,10-13,15H,4-6,9H2,1-3H3/t15-/m0/s1
InChIKeyNQPJALYIUJIGOU-HNNXBMFYSA-N
MW360.46 g/mol
LogP4.19
Rot. Bonds3

About [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone

[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (PubChem CID 95046285) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
PubChem CID95046285
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC Name[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
SMILESCCc1ncc(-c2cc(C(=O)N3CCC[C@@H]3C)c3ccc(C)cc3n2)cn1
InChIInChI=1S/C22H24N4O/c1-4-21-23-12-16(13-24-21)19-11-18(22(27)26-9-5-6-15(26)3)17-8-7-14(2)10-20(17)25-19/h7-8,10-13,15H,4-6,9H2,1-3H3/t15-/m0/s1
InChIKeyNQPJALYIUJIGOU-HNNXBMFYSA-N
XLogP4.19
TPSA58.98 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[7-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 46995494
[(2S)-2-methylpiperidin-1-yl]-[7-methyl-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 95046617
[7-fluoro-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 29255838
[2-(2-cyclopropylpyrimidin-5-yl)-7,8-dimethylquinolin-4-yl]-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 95047271
[7,8-dimethyl-2-(2-propan-2-ylpyrimidin-5-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46992353
[7-methoxy-2-(1-propylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45209543
(2-methylpyrrolidin-1-yl)-[2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]methanone
CID 46988948
(3,3-dimethylpyrrolidin-1-yl)-[2-(2-ethylpyrimidin-5-yl)-7-fluoroquinolin-4-yl]methanone
CID 46990570
[7-chloro-2-(4-ethylphenyl)-8-methylquinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 17372831
[2-(3,4-dimethylphenyl)quinolin-4-yl]-[(2R)-2-methylpiperidin-1-yl]methanone
CID 1221554
[6-fluoro-2-(1-propan-2-ylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 45171328
[2-(4-bromophenyl)quinolin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 4198467

Frequently Asked Questions

What is the IUPAC name of [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The IUPAC name of [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone (CID 95046285) is [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone.
What is the SMILES notation for [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The canonical SMILES for [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is CCc1ncc(-c2cc(C(=O)N3CCC[C@@H]3C)c3ccc(C)cc3n2)cn1.
What is the InChIKey of [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
The InChIKey is NQPJALYIUJIGOU-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H24N4O/c1-4-21-23-12-16(13-24-21)19-11-18(22(27)26-9-5-6-15(26)3)17-8-7-14(2)10-20(17)25-19/h7-8,10-13,15H,4-6,9H2,1-3H3/t15-/m0/s1.
What are the key properties of [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone?
[2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone has a molecular weight of 360.46 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-ethylpyrimidin-5-yl)-7-methylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone is sourced from PubChem (CID 95046285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).