1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione

C19H15FN2O2 — CID 113208636

IUPAC1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCCc2ccccc21)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H15FN2O2/c20-13-7-8-14-15(11-21-16(14)10-13)18(23)19(24)22-9-3-5-12-4-1-2-6-17(12)22/h1-2,4,6-8,10-11,21H,3,5,9H2
InChIKeyJYPHRYNEFKTZQW-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.47
Rot. Bonds2

About 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione

1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione (PubChem CID 113208636) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione.

Molecular Properties

Compound Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
PubChem CID113208636
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC Name1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione
SMILESO=C(C(=O)N1CCCc2ccccc21)c1c[nH]c2cc(F)ccc12
InChIInChI=1S/C19H15FN2O2/c20-13-7-8-14-15(11-21-16(14)10-13)18(23)19(24)22-9-3-5-12-4-1-2-6-17(12)22/h1-2,4,6-8,10-11,21H,3,5,9H2
InChIKeyJYPHRYNEFKTZQW-UHFFFAOYSA-N
XLogP3.47
TPSA53.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione with MolForge

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Related Compounds

1-(6-fluoro-1H-indol-3-yl)-2-pyrrolidin-1-ylethane-1,2-dione
CID 113208548
3,4-dihydro-2H-quinolin-1-yl-(6-methoxy-1H-indol-3-yl)methanone
CID 113206601
1-(2,3-dihydroindol-1-yl)-2-(5-methoxy-1H-indol-3-yl)ethane-1,2-dione
CID 113208442
(2,4-difluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 736346
[2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoethyl] 1H-indole-3-carboxylate
CID 7888835
1-(2,3-dihydroindol-1-yl)-2-(4-fluorophenyl)ethane-1,2-dione
CID 82123544
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(1H-pyrrol-2-yl)ethane-1,2-dione
CID 53011678
3,4-dihydro-2H-quinolin-1-yl-(5-methoxy-1H-indol-3-yl)methanone
CID 113206041
N-(2,4-difluorophenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505775
3,4-dihydro-2H-quinolin-1-yl(1H-indol-4-yl)methanone
CID 43582707
azepan-1-yl-(6-fluoro-1H-indol-3-yl)methanone
CID 113206230
1-(3,4-dihydro-2H-quinolin-1-yl)-4-[4-(5-fluoro-1H-indol-3-yl)piperidin-1-yl]butan-1-one
CID 22483998

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione?
The IUPAC name of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione (CID 113208636) is 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione.
What is the SMILES notation for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione?
The canonical SMILES for 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione is O=C(C(=O)N1CCCc2ccccc21)c1c[nH]c2cc(F)ccc12.
What is the InChIKey of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione?
The InChIKey is JYPHRYNEFKTZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-13-7-8-14-15(11-21-16(14)10-13)18(23)19(24)22-9-3-5-12-4-1-2-6-17(12)22/h1-2,4,6-8,10-11,21H,3,5,9H2.
What are the key properties of 1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione?
1-(3,4-dihydro-2H-quinolin-1-yl)-2-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione has a molecular weight of 322.34 g/mol, XLogP of 3.47, 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-(6-fluoro-1H-indol-3-yl)ethane-1,2-dione is sourced from PubChem (CID 113208636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).