[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone

C16H18N2O2 — CID 115966148

IUPAC[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
SMILESCC(O)C1CCN(C(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C16H18N2O2/c1-11(19)13-7-9-18(10-13)16(20)14-6-2-4-12-5-3-8-17-15(12)14/h2-6,8,11,13,19H,7,9-10H2,1H3
InChIKeyWNVWGQVPWLWLDE-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.08
Rot. Bonds2

About [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone

[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone (PubChem CID 115966148) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone.

Molecular Properties

Compound Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
PubChem CID115966148
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
SMILESCC(O)C1CCN(C(=O)c2cccc3cccnc23)C1
InChIInChI=1S/C16H18N2O2/c1-11(19)13-7-9-18(10-13)16(20)14-6-2-4-12-5-3-8-17-15(12)14/h2-6,8,11,13,19H,7,9-10H2,1H3
InChIKeyWNVWGQVPWLWLDE-UHFFFAOYSA-N
XLogP2.08
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
CID 62917957
2-[3-(1-hydroxyethyl)pyrrolidine-1-carbonyl]pyridine-3-carboxylic acid
CID 112624740
(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
[4-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
(4-aminopiperidin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119375001
[3-(aminomethyl)-4-methylpiperidin-1-yl]-quinolin-8-ylmethanone
CID 114960494
2-[(3S)-1-(quinoline-8-carbonyl)pyrrolidin-3-yl]benzoic acid
CID 95725546
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
(3-ethyl-2-hydroxyphenyl)-[3-(1-hydroxyethyl)pyrrolidin-1-yl]methanone
CID 110023914
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-(3-propan-2-yloxy-2-pyridinyl)methanone
CID 110023160

Frequently Asked Questions

What is the IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone?
The IUPAC name of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone (CID 115966148) is [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone.
What is the SMILES notation for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone?
The canonical SMILES for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone is CC(O)C1CCN(C(=O)c2cccc3cccnc23)C1.
What is the InChIKey of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone?
The InChIKey is WNVWGQVPWLWLDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11(19)13-7-9-18(10-13)16(20)14-6-2-4-12-5-3-8-17-15(12)14/h2-6,8,11,13,19H,7,9-10H2,1H3.
What are the key properties of [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone?
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone has a molecular weight of 270.33 g/mol, XLogP of 2.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 115966148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).