(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone

C19H24N2O — CID 46999548

IUPAC(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(C)nc2cc(C)cc(C)c12
InChIInChI=1S/C19H24N2O/c1-5-15-7-6-8-21(15)19(22)16-11-14(4)20-17-10-12(2)9-13(3)18(16)17/h9-11,15H,5-8H2,1-4H3
InChIKeyDZYDWYQECIVRKZ-UHFFFAOYSA-N
MW296.41 g/mol
LogP4.17
Rot. Bonds2

About (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone

(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone (PubChem CID 46999548) has the molecular formula C19H24N2O and a molecular weight of 296.41 g/mol. Its IUPAC name is (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone.

Molecular Properties

Compound Name(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone
PubChem CID46999548
Molecular FormulaC19H24N2O
Molecular Weight296.41 g/mol
Exact Mass296.19
IUPAC Name(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone
SMILESCCC1CCCN1C(=O)c1cc(C)nc2cc(C)cc(C)c12
InChIInChI=1S/C19H24N2O/c1-5-15-7-6-8-21(15)19(22)16-11-14(4)20-17-10-12(2)9-13(3)18(16)17/h9-11,15H,5-8H2,1-4H3
InChIKeyDZYDWYQECIVRKZ-UHFFFAOYSA-N
XLogP4.17
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[(3R,4R)-3-hydroxy-4-(hydroxymethyl)piperidin-1-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 56896209
(2-ethylpyrrolidin-1-yl)-(2-methylphenyl)methanone
CID 110604637
[2-(1-ethylpyrazol-4-yl)-5,7-dimethylquinolin-4-yl]-[(2S)-2-methylpyrrolidin-1-yl]methanone
CID 95047130
(5-bromo-2-methylphenyl)-(2-ethylpyrrolidin-1-yl)methanone
CID 65309657
[5,7-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(2-methylpyrrolidin-1-yl)methanone
CID 46996230
[2-(ethoxymethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 72873922
[(5S)-9-(cyclopropylmethyl)-2,9-diazaspiro[4.5]decan-2-yl]-(2,5,7-trimethylquinolin-4-yl)methanone
CID 126447898
3-[(2S)-2-ethylpyrrolidine-1-carbonyl]-5-methylbenzamide
CID 142673349
[2-(methylaminomethyl)pyrrolidin-1-yl]-(2-methylquinolin-4-yl)methanone
CID 81485630
(3-chloro-5-methylphenyl)-(2-ethylpiperidin-1-yl)methanone
CID 71025506
[2-(3,5-dimethylanilino)-6-methylpyrimidin-4-yl]-(2-ethylpiperidin-1-yl)methanone
CID 109333856
3-[3-(2-ethylpyrrolidine-1-carbonyl)-4-methylphenyl]prop-2-enoic acid
CID 77064837

Frequently Asked Questions

What is the IUPAC name of (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone?
The IUPAC name of (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone (CID 46999548) is (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone.
What is the SMILES notation for (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone?
The canonical SMILES for (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone is CCC1CCCN1C(=O)c1cc(C)nc2cc(C)cc(C)c12.
What is the InChIKey of (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone?
The InChIKey is DZYDWYQECIVRKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O/c1-5-15-7-6-8-21(15)19(22)16-11-14(4)20-17-10-12(2)9-13(3)18(16)17/h9-11,15H,5-8H2,1-4H3.
What are the key properties of (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone?
(2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone has a molecular weight of 296.41 g/mol, XLogP of 4.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-ethylpyrrolidin-1-yl)-(2,5,7-trimethylquinolin-4-yl)methanone is sourced from PubChem (CID 46999548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).