(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone

C14H14N2O2 — CID 62917957

IUPAC(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1CCC(O)C1
InChIInChI=1S/C14H14N2O2/c17-11-6-8-16(9-11)14(18)12-5-1-3-10-4-2-7-15-13(10)12/h1-5,7,11,17H,6,8-9H2
InChIKeyRDQKOCGZEHJGST-UHFFFAOYSA-N
MW242.28 g/mol
LogP1.44
Rot. Bonds1

About (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone

(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone (PubChem CID 62917957) has the molecular formula C14H14N2O2 and a molecular weight of 242.28 g/mol. Its IUPAC name is (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone.

Molecular Properties

Compound Name(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
PubChem CID62917957
Molecular FormulaC14H14N2O2
Molecular Weight242.28 g/mol
Exact Mass242.11
IUPAC Name(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone
SMILESO=C(c1cccc2cccnc12)N1CCC(O)C1
InChIInChI=1S/C14H14N2O2/c17-11-6-8-16(9-11)14(18)12-5-1-3-10-4-2-7-15-13(10)12/h1-5,7,11,17H,6,8-9H2
InChIKeyRDQKOCGZEHJGST-UHFFFAOYSA-N
XLogP1.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.28
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3-hydroxypiperidin-1-yl)-quinolin-8-ylmethanone
CID 43415800
[3-(1-hydroxyethyl)pyrrolidin-1-yl]-quinolin-8-ylmethanone
CID 115966148
(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-(methylamino)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119562051
(3-methylpiperazin-1-yl)-quinolin-8-ylmethanone;dihydrochloride
CID 119578686
[3-(aminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone;dihydrochloride
CID 119464977
8-[(3R)-3-hydroxypyrrolidine-1-carbonyl]naphthalene-1-carboxylic acid
CID 107214240
[4-(ethylamino)piperidin-1-yl]-quinolin-8-ylmethanone
CID 62851096
4-[1-(quinoline-8-carbonyl)piperidin-3-yl]benzoic acid
CID 72854481
[4-(ethylaminomethyl)piperidin-1-yl]-quinolin-8-ylmethanone
CID 119646450

Frequently Asked Questions

What is the IUPAC name of (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone?
The IUPAC name of (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone (CID 62917957) is (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone.
What is the SMILES notation for (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone?
The canonical SMILES for (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone is O=C(c1cccc2cccnc12)N1CCC(O)C1.
What is the InChIKey of (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone?
The InChIKey is RDQKOCGZEHJGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O2/c17-11-6-8-16(9-11)14(18)12-5-1-3-10-4-2-7-15-13(10)12/h1-5,7,11,17H,6,8-9H2.
What are the key properties of (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone?
(3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone has a molecular weight of 242.28 g/mol, XLogP of 1.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-hydroxypyrrolidin-1-yl)-quinolin-8-ylmethanone is sourced from PubChem (CID 62917957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).