1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone

C19H18N2O2 — CID 166249951

IUPAC1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone
SMILESO=C(Cc1cncc2ccccc12)N1CCCC1c1ccco1
InChIInChI=1S/C19H18N2O2/c22-19(21-9-3-7-17(21)18-8-4-10-23-18)11-15-13-20-12-14-5-1-2-6-16(14)15/h1-2,4-6,8,10,12-13,17H,3,7,9,11H2
InChIKeyJWEATXVGKQTWNL-UHFFFAOYSA-N
MW306.37 g/mol
LogP3.73
Rot. Bonds3

About 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone

1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone (PubChem CID 166249951) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone.

Molecular Properties

Compound Name1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone
PubChem CID166249951
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone
SMILESO=C(Cc1cncc2ccccc12)N1CCCC1c1ccco1
InChIInChI=1S/C19H18N2O2/c22-19(21-9-3-7-17(21)18-8-4-10-23-18)11-15-13-20-12-14-5-1-2-6-16(14)15/h1-2,4-6,8,10,12-13,17H,3,7,9,11H2
InChIKeyJWEATXVGKQTWNL-UHFFFAOYSA-N
XLogP3.73
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-isoquinolin-4-yl-1-(2-phenylazetidin-1-yl)ethanone
CID 166348905
1-[(2R)-2-(furan-2-yl)azepan-1-yl]-2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethanone
CID 97079135
1-[(2R)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 124500835
(6-chloropyrazin-2-yl)-[2-(furan-2-yl)azepan-1-yl]methanone
CID 102562615
2-(2-chloro-6-fluorophenyl)-1-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 51550766
4-[2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 120674179
trans-(1R,2R)-2-[(2R)-2-(furan-2-yl)pyrrolidine-1-carbonyl]cyclopropane-1-carboxylic acid
CID 99851614
2-(3,4-dimethoxyphenyl)-1-[2-(furan-2-yl)pyrrolidin-1-yl]ethanone
CID 20895626
3-[2-[(2S)-2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 97126401
3-[2-[2-(furan-2-yl)pyrrolidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 72876827
4-[3-[2-(furan-2-yl)pyrrolidin-1-yl]-3-oxopropyl]benzoic acid
CID 75516621
1-[2-(furan-2-yl)pyrrolidin-1-yl]prop-2-en-1-one
CID 51346068

Frequently Asked Questions

What is the IUPAC name of 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone?
The IUPAC name of 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone (CID 166249951) is 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone.
What is the SMILES notation for 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone?
The canonical SMILES for 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone is O=C(Cc1cncc2ccccc12)N1CCCC1c1ccco1.
What is the InChIKey of 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone?
The InChIKey is JWEATXVGKQTWNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O2/c22-19(21-9-3-7-17(21)18-8-4-10-23-18)11-15-13-20-12-14-5-1-2-6-16(14)15/h1-2,4-6,8,10,12-13,17H,3,7,9,11H2.
What are the key properties of 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone?
1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone has a molecular weight of 306.37 g/mol, XLogP of 3.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(furan-2-yl)pyrrolidin-1-yl]-2-isoquinolin-4-ylethanone is sourced from PubChem (CID 166249951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).