2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone

C15H14N2O4 — CID 91020181

IUPAC2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone
SMILESO=C(Cn1c(O)ccc1O)N1CC=Cc2cccc(O)c21
InChIInChI=1S/C15H14N2O4/c18-11-5-1-3-10-4-2-8-16(15(10)11)14(21)9-17-12(19)6-7-13(17)20/h1-7,18-20H,8-9H2
InChIKeyPJZQRMCXPRKIAX-UHFFFAOYSA-N
MW286.29 g/mol
LogP1.66
Rot. Bonds2

About 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone

2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone (PubChem CID 91020181) has the molecular formula C15H14N2O4 and a molecular weight of 286.29 g/mol. Its IUPAC name is 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone.

Molecular Properties

Compound Name2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone
PubChem CID91020181
Molecular FormulaC15H14N2O4
Molecular Weight286.29 g/mol
Exact Mass286.10
IUPAC Name2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone
SMILESO=C(Cn1c(O)ccc1O)N1CC=Cc2cccc(O)c21
InChIInChI=1S/C15H14N2O4/c18-11-5-1-3-10-4-2-8-16(15(10)11)14(21)9-17-12(19)6-7-13(17)20/h1-7,18-20H,8-9H2
InChIKeyPJZQRMCXPRKIAX-UHFFFAOYSA-N
XLogP1.66
TPSA85.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.29
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-bromophenyl)-1-(8-pyrrolidin-1-yl-2H-quinolin-1-yl)ethanone
CID 67902968
1-bromo-3-(2,5-dihydroxypyrrol-1-yl)propan-2-one
CID 91159484
2-(3H-1,2-benzoxazepin-2-yl)acetic acid
CID 139931964
2-(2H-quinolin-1-yl)acetic acid;sulfuric acid
CID 175129650
1-azatricyclo[7.3.1.05,13]trideca-2,5,7,9(13),10-pentaen-4-one
CID 21445339
2-ethoxyethyl 2H-quinoline-1-carboxylate
CID 18677055
1-ethyl-3-[2-(7-methyl-2,3-dihydroindol-1-yl)-2-oxoethyl]benzimidazol-2-one
CID 112835829
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-pyrazol-1-ylethanone
CID 55162887
8-bromo-1-(pyrrolidin-1-ylmethyl)-2H-quinoline
CID 154261394
1-(8-hydroxy-3,4-dihydro-2H-quinolin-1-yl)-2-(4-hydroxyphenyl)ethanone
CID 63214929
hexafluoroantimony(1-);1-phenyl-2-(2H-quinolin-1-yl)ethanone
CID 175158866
4-(2,5-dihydroxypyrrol-1-yl)-3-oxo-2-sulfanylbutanoic acid
CID 57222363

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone?
The IUPAC name of 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone (CID 91020181) is 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone.
What is the SMILES notation for 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone?
The canonical SMILES for 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone is O=C(Cn1c(O)ccc1O)N1CC=Cc2cccc(O)c21.
What is the InChIKey of 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone?
The InChIKey is PJZQRMCXPRKIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O4/c18-11-5-1-3-10-4-2-8-16(15(10)11)14(21)9-17-12(19)6-7-13(17)20/h1-7,18-20H,8-9H2.
What are the key properties of 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone?
2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone has a molecular weight of 286.29 g/mol, XLogP of 1.66, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dihydroxypyrrol-1-yl)-1-(8-hydroxy-2H-quinolin-1-yl)ethanone is sourced from PubChem (CID 91020181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).