1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione

C15H14N2O2 — CID 53011678

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCCc2ccccc21)c1ccc[nH]1
InChIInChI=1S/C15H14N2O2/c18-14(12-7-3-9-16-12)15(19)17-10-4-6-11-5-1-2-8-13(11)17/h1-3,5,7-9,16H,4,6,10H2
InChIKeyJXWJNRCMEOXUHC-UHFFFAOYSA-N
MW254.29 g/mol
LogP2.18
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione (PubChem CID 53011678) has the molecular formula C15H14N2O2 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione
PubChem CID53011678
Molecular FormulaC15H14N2O2
Molecular Weight254.29 g/mol
Exact Mass254.11
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCCc2ccccc21)c1ccc[nH]1
InChIInChI=1S/C15H14N2O2/c18-14(12-7-3-9-16-12)15(19)17-10-4-6-11-5-1-2-8-13(11)17/h1-3,5,7-9,16H,4,6,10H2
InChIKeyJXWJNRCMEOXUHC-UHFFFAOYSA-N
XLogP2.18
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

2-(3,4-dihydro-2H-quinoline-1-carbonyl)-1H-pyridin-4-one
CID 110857132
1-(3,4-dihydro-2H-quinolin-1-yl)ethanone;ethane
CID 143423489
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
CID 113208636
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707
2,3,4,5-tetrahydro-1-benzazepine-1-carboxylic acid
CID 90953923
(Z)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)-3-(2-fluoroanilino)prop-2-enenitrile
CID 108834813
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione
CID 82123544
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethane-1,2-dione
CID 108985988
2-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-2-oxo-N-phenylacetamide
CID 108505624
1,9-bis(3,4-dihydro-2H-quinolin-1-yl)nonane-1,9-dione
CID 5158868
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethoxy]ethanone
CID 2361983
(Z)-3-(2,3-dihydroindol-1-yl)-2-(3,4-dihydro-2H-quinoline-1-carbonyl)prop-2-enenitrile
CID 108834941

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione (CID 53011678) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione is O=C(C(=O)N1CCCc2ccccc21)c1ccc[nH]1.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione?
The InChIKey is JXWJNRCMEOXUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2/c18-14(12-7-3-9-16-12)15(19)17-10-4-6-11-5-1-2-8-13(11)17/h1-3,5,7-9,16H,4,6,10H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione has a molecular weight of 254.29 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione is sourced from PubChem (CID 53011678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).