1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone

C22H22N2O2 — CID 141330636

IUPAC1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
SMILESCc1cccc(C2CCCN2C(=O)COc2ccnc3ccccc23)c1
InChIInChI=1S/C22H22N2O2/c1-16-6-4-7-17(14-16)20-10-5-13-24(20)22(25)15-26-21-11-12-23-19-9-3-2-8-18(19)21/h2-4,6-9,11-12,14,20H,5,10,13,15H2,1H3
InChIKeyNAYAQYYWLMNPJZ-UHFFFAOYSA-N
MW346.43 g/mol
LogP4.29
Rot. Bonds4

About 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone

1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone (PubChem CID 141330636) has the molecular formula C22H22N2O2 and a molecular weight of 346.43 g/mol. Its IUPAC name is 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone.

Molecular Properties

Compound Name1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
PubChem CID141330636
Molecular FormulaC22H22N2O2
Molecular Weight346.43 g/mol
Exact Mass346.17
IUPAC Name1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
SMILESCc1cccc(C2CCCN2C(=O)COc2ccnc3ccccc23)c1
InChIInChI=1S/C22H22N2O2/c1-16-6-4-7-17(14-16)20-10-5-13-24(20)22(25)15-26-21-11-12-23-19-9-3-2-8-18(19)21/h2-4,6-9,11-12,14,20H,5,10,13,15H2,1H3
InChIKeyNAYAQYYWLMNPJZ-UHFFFAOYSA-N
XLogP4.29
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 54.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2R)-2-phenylpyrrolidin-1-yl]-2-quinolin-4-yloxyethanone
CID 141217853
2-chloro-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 166174148
1-[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-2-(2-fluorophenoxy)ethanone
CID 86951335
2-(2,4-dimethylphenoxy)-1-(2-pyridin-4-ylpyrrolidin-1-yl)ethanone
CID 86920438
3-(methylamino)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]propan-1-one
CID 83629742
1-(3-hydroxypiperidin-1-yl)-2-quinolin-4-yloxyethanone
CID 141217878
1-[(2R)-2-[3-(dimethylamino)phenyl]pyrrolidin-1-yl]-2-(2-hydroxyphenoxy)ethanone
CID 97237633
3-methyl-4-(2-quinolin-4-yloxyacetyl)piperazin-2-one
CID 141330643
2-(2-chlorophenoxy)-1-[2-(3-methoxyphenyl)pyrrolidin-1-yl]ethanone
CID 51325114
2-(2-fluorophenoxy)-1-[(2S)-2-[2-(methylamino)-4-pyridinyl]pyrrolidin-1-yl]ethanone
CID 124965516
2-(2-methoxyphenoxy)-1-[(2R)-2-(3-methoxyphenyl)piperidin-1-yl]ethanone
CID 124843390
2-(4-chloropyrazol-1-yl)-1-[2-(3-methylphenyl)pyrrolidin-1-yl]ethanone
CID 50747286

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone?
The IUPAC name of 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone (CID 141330636) is 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone.
What is the SMILES notation for 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone?
The canonical SMILES for 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone is Cc1cccc(C2CCCN2C(=O)COc2ccnc3ccccc23)c1.
What is the InChIKey of 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone?
The InChIKey is NAYAQYYWLMNPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O2/c1-16-6-4-7-17(14-16)20-10-5-13-24(20)22(25)15-26-21-11-12-23-19-9-3-2-8-18(19)21/h2-4,6-9,11-12,14,20H,5,10,13,15H2,1H3.
What are the key properties of 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone?
1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone has a molecular weight of 346.43 g/mol, XLogP of 4.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-methylphenyl)pyrrolidin-1-yl]-2-quinolin-4-yloxyethanone is sourced from PubChem (CID 141330636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).