[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

C20H19NO4 — CID 95173403

IUPAC[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)O[C@H]3CCCc4ccccc43)cc21
InChIInChI=1S/C20H19NO4/c22-17-9-4-8-16-14(17)11-15(19(23)21-16)20(24)25-18-10-3-6-12-5-1-2-7-13(12)18/h1-2,5,7,11,18H,3-4,6,8-10H2,(H,21,23)/t18-/m0/s1
InChIKeyUHXBXJVGBARKHW-SFHVURJKSA-N
MW337.38 g/mol
LogP3.13
Rot. Bonds2

About [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate

[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (PubChem CID 95173403) has the molecular formula C20H19NO4 and a molecular weight of 337.38 g/mol. Its IUPAC name is [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.

Molecular Properties

Compound Name[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
PubChem CID95173403
Molecular FormulaC20H19NO4
Molecular Weight337.38 g/mol
Exact Mass337.13
IUPAC Name[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate
SMILESO=C1CCCc2[nH]c(=O)c(C(=O)O[C@H]3CCCc4ccccc43)cc21
InChIInChI=1S/C20H19NO4/c22-17-9-4-8-16-14(17)11-15(19(23)21-16)20(24)25-18-10-3-6-12-5-1-2-7-13(12)18/h1-2,5,7,11,18H,3-4,6,8-10H2,(H,21,23)/t18-/m0/s1
InChIKeyUHXBXJVGBARKHW-SFHVURJKSA-N
XLogP3.13
TPSA76.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The IUPAC name of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate (CID 95173403) is [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate.
What is the SMILES notation for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The canonical SMILES for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is O=C1CCCc2[nH]c(=O)c(C(=O)O[C@H]3CCCc4ccccc43)cc21.
What is the InChIKey of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
The InChIKey is UHXBXJVGBARKHW-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19NO4/c22-17-9-4-8-16-14(17)11-15(19(23)21-16)20(24)25-18-10-3-6-12-5-1-2-7-13(12)18/h1-2,5,7,11,18H,3-4,6,8-10H2,(H,21,23)/t18-/m0/s1.
What are the key properties of [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate?
[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate has a molecular weight of 337.38 g/mol, XLogP of 3.13, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1,2,3,4-tetrahydronaphthalen-1-yl] 2,5-dioxo-1,6,7,8-tetrahydroquinoline-3-carboxylate is sourced from PubChem (CID 95173403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).