[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

C16H22N2O2 — CID 114797753

IUPAC[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1cccc2c1NCCC2)N1CCC(CCO)C1
InChIInChI=1S/C16H22N2O2/c19-10-7-12-6-9-18(11-12)16(20)14-5-1-3-13-4-2-8-17-15(13)14/h1,3,5,12,17,19H,2,4,6-11H2
InChIKeyLZJXDCQKRLTHAA-UHFFFAOYSA-N
MW274.36 g/mol
LogP1.89
Rot. Bonds3

About [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone

[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (PubChem CID 114797753) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.

Molecular Properties

Compound Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
PubChem CID114797753
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
SMILESO=C(c1cccc2c1NCCC2)N1CCC(CCO)C1
InChIInChI=1S/C16H22N2O2/c19-10-7-12-6-9-18(11-12)16(20)14-5-1-3-13-4-2-8-17-15(13)14/h1,3,5,12,17,19H,2,4,6-11H2
InChIKeyLZJXDCQKRLTHAA-UHFFFAOYSA-N
XLogP1.89
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[4-(1-hydroxyethyl)piperidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 106836042
3,4-dihydro-2H-1,4-benzoxazin-8-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 114797522
(2-fluoro-3-methylphenyl)-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115775406
3-[3-(2-hydroxyethyl)pyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 115775390
[3-(2-hydroxyethyl)piperidin-1-yl]-(2-sulfanylphenyl)methanone
CID 107229128
2,3-dihydro-1,4-benzodioxin-5-yl-[3-(2-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 115746515
3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62214013
(2-ethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62213479
1-[(3R,4R)-4-hydroxy-1-(1,2,3,4-tetrahydroquinoline-8-carbonyl)pyrrolidin-3-yl]-N,N-dimethylmethanesulfonamide
CID 155508588
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(2-nitrophenyl)methanone
CID 115746394
(2,4-dimethylpiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 62332348
[(3S,4S)-3-hydroxy-4-methyl-3-propan-2-ylpyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone
CID 133112239

Frequently Asked Questions

What is the IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The IUPAC name of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone (CID 114797753) is [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone.
What is the SMILES notation for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The canonical SMILES for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is O=C(c1cccc2c1NCCC2)N1CCC(CCO)C1.
What is the InChIKey of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
The InChIKey is LZJXDCQKRLTHAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O2/c19-10-7-12-6-9-18(11-12)16(20)14-5-1-3-13-4-2-8-17-15(13)14/h1,3,5,12,17,19H,2,4,6-11H2.
What are the key properties of [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone?
[3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone has a molecular weight of 274.36 g/mol, XLogP of 1.89, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-hydroxyethyl)pyrrolidin-1-yl]-(1,2,3,4-tetrahydroquinolin-8-yl)methanone is sourced from PubChem (CID 114797753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).