3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one

C23H17NO4S — CID 2307091

IUPAC3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C23H17NO4S/c25-22-17-8-2-4-10-20(17)29(27,28)21-14-16(11-12-18(21)22)23(26)24-13-5-7-15-6-1-3-9-19(15)24/h1-4,6,8-12,14H,5,7,13H2
InChIKeyUZFFXSQHHDWYJK-UHFFFAOYSA-N
MW403.46 g/mol
LogP3.66
Rot. Bonds1

About 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one

3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one (PubChem CID 2307091) has the molecular formula C23H17NO4S and a molecular weight of 403.46 g/mol. Its IUPAC name is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one.

Molecular Properties

Compound Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one
PubChem CID2307091
Molecular FormulaC23H17NO4S
Molecular Weight403.46 g/mol
Exact Mass403.09
IUPAC Name3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one
SMILESO=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc21
InChIInChI=1S/C23H17NO4S/c25-22-17-8-2-4-10-20(17)29(27,28)21-14-16(11-12-18(21)22)23(26)24-13-5-7-15-6-1-3-9-19(15)24/h1-4,6,8-12,14H,5,7,13H2
InChIKeyUZFFXSQHHDWYJK-UHFFFAOYSA-N
XLogP3.66
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.46
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one with MolForge

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Related Compounds

3-(5,6-dihydrobenzo[b][1]benzazepine-11-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2307108
3-(4-methylpiperazine-1-carbonyl)-10,10-dioxothioxanthen-9-one
CID 2331605
3,4-dihydro-2H-quinolin-1-yl-(6-ethyl-5,5-dioxobenzo[c][1,2]benzothiazin-9-yl)methanone
CID 50814794
3,4-dihydro-2H-quinolin-1-yl-(3,4-dimethylphenyl)methanone
CID 776290
3,4-dihydro-2H-quinolin-1-yl-(4-fluoro-3-sulfanylphenyl)methanone
CID 107021556
3-[(2R,6S)-2,6-dimethylpiperidine-1-carbonyl]-10,10-dioxothioxanthen-9-one
CID 7689733
9,10,10-trioxo-N-(8-oxo-6,7-dihydro-5H-naphthalen-2-yl)thioxanthene-3-carboxamide
CID 166227055
(3-chloro-4-methylphenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 806851
(4-aminophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 2984117
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
(3-amino-4-fluorophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 23120300
(3-amino-4-isocyanophenyl)-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 58794290

Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one?
The IUPAC name of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one (CID 2307091) is 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one.
What is the SMILES notation for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one?
The canonical SMILES for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one is O=C1c2ccccc2S(=O)(=O)c2cc(C(=O)N3CCCc4ccccc43)ccc21.
What is the InChIKey of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one?
The InChIKey is UZFFXSQHHDWYJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4S/c25-22-17-8-2-4-10-20(17)29(27,28)21-14-16(11-12-18(21)22)23(26)24-13-5-7-15-6-1-3-9-19(15)24/h1-4,6,8-12,14H,5,7,13H2.
What are the key properties of 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one?
3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one has a molecular weight of 403.46 g/mol, XLogP of 3.66, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dihydro-2H-quinoline-1-carbonyl)-10,10-dioxothioxanthen-9-one is sourced from PubChem (CID 2307091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).