1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone

C15H16N2O2 — CID 154608742

IUPAC1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone
SMILESCC(=O)c1cc2ccccc2nc1N1CC[C@H](O)C1
InChIInChI=1S/C15H16N2O2/c1-10(18)13-8-11-4-2-3-5-14(11)16-15(13)17-7-6-12(19)9-17/h2-5,8,12,19H,6-7,9H2,1H3/t12-/m0/s1
InChIKeyIKMQNIGNZWPWCJ-LBPRGKRZSA-N
MW256.31 g/mol
LogP2.01
Rot. Bonds2

About 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone

1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone (PubChem CID 154608742) has the molecular formula C15H16N2O2 and a molecular weight of 256.31 g/mol. Its IUPAC name is 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone
PubChem CID154608742
Molecular FormulaC15H16N2O2
Molecular Weight256.31 g/mol
Exact Mass256.12
IUPAC Name1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone
SMILESCC(=O)c1cc2ccccc2nc1N1CC[C@H](O)C1
InChIInChI=1S/C15H16N2O2/c1-10(18)13-8-11-4-2-3-5-14(11)16-15(13)17-7-6-12(19)9-17/h2-5,8,12,19H,6-7,9H2,1H3/t12-/m0/s1
InChIKeyIKMQNIGNZWPWCJ-LBPRGKRZSA-N
XLogP2.01
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3S)-1-(3-methylquinolin-2-yl)piperidin-3-ol
CID 95034913
2-[3-(methoxymethyl)pyrrolidin-1-yl]quinoline-3-carboxylic acid
CID 64599168
1-[3-[(propan-2-ylamino)methyl]quinolin-2-yl]pyrrolidin-3-ol
CID 62941726
tert-butyl 2-[4-[(E)-3-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]-3-oxoprop-1-enyl]-2,6-dimethylphenoxy]-2-methylpropanoate
CID 154608740
(3R)-1-(3-chloroquinoxalin-2-yl)pyrrolidin-3-ol
CID 71649300
1-[3-(methylaminomethyl)quinolin-2-yl]piperidin-3-ol
CID 61434840
2-(3-hydroxy-4-methylpiperidin-1-yl)quinoline-3-carbonitrile
CID 103896118
N'-hydroxy-2-(3-methoxypyrrolidin-1-yl)quinoline-3-carboximidamide
CID 103533970
N-cyclopropyl-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 166189320
2-piperazin-1-ylquinoline-3-carboxylic acid
CID 19763543
N-[(1S,2S)-2-methylcyclohexyl]-2-pyrrolidin-1-ylquinoline-3-carboxamide
CID 52515339
2-(3-amino-4-methylpyrrolidin-1-yl)quinoline-3-carboxamide
CID 103577370

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone?
The IUPAC name of 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone (CID 154608742) is 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone?
The canonical SMILES for 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone is CC(=O)c1cc2ccccc2nc1N1CC[C@H](O)C1.
What is the InChIKey of 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone?
The InChIKey is IKMQNIGNZWPWCJ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H16N2O2/c1-10(18)13-8-11-4-2-3-5-14(11)16-15(13)17-7-6-12(19)9-17/h2-5,8,12,19H,6-7,9H2,1H3/t12-/m0/s1.
What are the key properties of 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone?
1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone has a molecular weight of 256.31 g/mol, XLogP of 2.01, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(3S)-3-hydroxypyrrolidin-1-yl]quinolin-3-yl]ethanone is sourced from PubChem (CID 154608742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).