[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone

C22H22N2O3 — CID 42929431

IUPAC[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc3cc(OC)ccc3n2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-17-8-5-15(6-9-17)21-4-3-13-24(21)22(25)20-11-7-16-14-18(27-2)10-12-19(16)23-20/h5-12,14,21H,3-4,13H2,1-2H3
InChIKeyQTVBSKRKQHZAMO-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.23
Rot. Bonds4

About [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone

[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone (PubChem CID 42929431) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone.

Molecular Properties

Compound Name[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
PubChem CID42929431
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
SMILESCOc1ccc(C2CCCN2C(=O)c2ccc3cc(OC)ccc3n2)cc1
InChIInChI=1S/C22H22N2O3/c1-26-17-8-5-15(6-9-17)21-4-3-13-24(21)22(25)20-11-7-16-14-18(27-2)10-12-19(16)23-20/h5-12,14,21H,3-4,13H2,1-2H3
InChIKeyQTVBSKRKQHZAMO-UHFFFAOYSA-N
XLogP4.23
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(2-hydroxyethyl)piperidin-1-yl]-(6-methoxyquinolin-2-yl)methanone
CID 110887007
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(1-methylpyrazol-3-yl)methanone
CID 50747341
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 51116149
(7-fluoro-2-methylquinolin-3-yl)-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 18127031
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230052
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-[1-methyl-5-(trifluoromethyl)pyrazol-3-yl]methanone
CID 94080690
[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-(4-methylphenyl)methanone
CID 26663793
(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone
CID 120729856
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(2-methylcyclopropyl)methanone
CID 42919745
(4-chloro-1H-pyrrol-2-yl)-[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 32985933
cyclobutyl-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 42919736
(6-methoxyquinolin-2-yl)-(2-pyridin-3-ylpiperazin-1-yl)methanone;dihydrochloride
CID 120729855

Frequently Asked Questions

What is the IUPAC name of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The IUPAC name of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone (CID 42929431) is [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone.
What is the SMILES notation for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The canonical SMILES for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone is COc1ccc(C2CCCN2C(=O)c2ccc3cc(OC)ccc3n2)cc1.
What is the InChIKey of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
The InChIKey is QTVBSKRKQHZAMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-17-8-5-15(6-9-17)21-4-3-13-24(21)22(25)20-11-7-16-14-18(27-2)10-12-19(16)23-20/h5-12,14,21H,3-4,13H2,1-2H3.
What are the key properties of [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone?
[2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone has a molecular weight of 362.43 g/mol, XLogP of 4.23, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-methoxyphenyl)pyrrolidin-1-yl]-(6-methoxyquinolin-2-yl)methanone is sourced from PubChem (CID 42929431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).