[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

C22H22N2O3 — CID 1219284

IUPAC[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-26-20-10-9-15(13-21(20)27-2)19-14-17(22(25)24-11-5-6-12-24)16-7-3-4-8-18(16)23-19/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3
InChIKeyPXQMOCXXUSWMSY-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.16
Rot. Bonds4

About [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone

[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (PubChem CID 1219284) has the molecular formula C22H22N2O3 and a molecular weight of 362.43 g/mol. Its IUPAC name is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
PubChem CID1219284
Molecular FormulaC22H22N2O3
Molecular Weight362.43 g/mol
Exact Mass362.16
IUPAC Name[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1OC
InChIInChI=1S/C22H22N2O3/c1-26-20-10-9-15(13-21(20)27-2)19-14-17(22(25)24-11-5-6-12-24)16-7-3-4-8-18(16)23-19/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3
InChIKeyPXQMOCXXUSWMSY-UHFFFAOYSA-N
XLogP4.16
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 ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Papaveraldine
CID 96932
4-(1,4-Dioxa-8-azaspiro[4.5]dec-8-ylcarbonyl)-2-(4-ethoxyphenyl)quinoline
CID 3241312
Carbazole-3-carboxamide analog 1
CID 46871948
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164628729
3,4-dimethoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 1504527
N-[2-(1H-indol-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 787253
4-methoxy-N-[(2-methylquinolin-4-yl)methyl]benzamide
CID 4915921
Cinchoninamide, 2-butoxy-N-(2-(1-pyrrolidinyl)ethyl)-
CID 3051612
Pseudocoralyne
CID 72351
2-(3,4-Dimethoxyphenyl)quinoline-4-carboxylic acid
CID 673703
2-(4-Methoxyphenyl)quinoline-4-carboxylic acid
CID 676325

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone (CID 1219284) is [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is COc1ccc(-c2cc(C(=O)N3CCCC3)c3ccccc3n2)cc1OC.
What is the InChIKey of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is PXQMOCXXUSWMSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3/c1-26-20-10-9-15(13-21(20)27-2)19-14-17(22(25)24-11-5-6-12-24)16-7-3-4-8-18(16)23-19/h3-4,7-10,13-14H,5-6,11-12H2,1-2H3.
What are the key properties of [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone?
[2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 362.43 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-dimethoxyphenyl)quinolin-4-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 1219284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).