(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate

C20H16N2O5 — CID 18205232

IUPAC(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESO=C1CCc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc2N1
InChIInChI=1S/C20H16N2O5/c23-17-8-5-12-11-13(6-7-16(12)21-17)27-18(24)9-10-22-19(25)14-3-1-2-4-15(14)20(22)26/h1-4,6-7,11H,5,8-10H2,(H,21,23)
InChIKeySTZOEOJBPINPIG-UHFFFAOYSA-N
MW364.36 g/mol
LogP2.16
Rot. Bonds4

About (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate

(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate (PubChem CID 18205232) has the molecular formula C20H16N2O5 and a molecular weight of 364.36 g/mol. Its IUPAC name is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate.

Molecular Properties

Compound Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate
PubChem CID18205232
Molecular FormulaC20H16N2O5
Molecular Weight364.36 g/mol
Exact Mass364.11
IUPAC Name(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate
SMILESO=C1CCc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc2N1
InChIInChI=1S/C20H16N2O5/c23-17-8-5-12-11-13(6-7-16(12)21-17)27-18(24)9-10-22-19(25)14-3-1-2-4-15(14)20(22)26/h1-4,6-7,11H,5,8-10H2,(H,21,23)
InChIKeySTZOEOJBPINPIG-UHFFFAOYSA-N
XLogP2.16
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.36
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5,6,7,8-tetrahydronaphthalen-2-yl 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 110493689
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) hexanoate
CID 47140803
4-(1,3-dioxoisoindol-2-yl)butyl 2-oxo-3,4-dihydro-1H-quinoline-6-carboxylate
CID 46646113
(4-chlorophenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 2133038
[4-(4-methylphenyl)phenyl] 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 1184334
(3-propan-2-ylphenyl) 3-(1,3-dioxoisoindol-2-yl)propanoate
CID 8908855
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-[[5-(4-fluorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 55517170
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 2-chloropropanoate
CID 57243759
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(4-methylpiperazin-1-yl)sulfonylbenzoate
CID 55535426
(7-methoxynaphthalen-2-yl) 2-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)oxy]acetate
CID 51112368
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)butanoate
CID 71896511
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) N-chlorosulfonylcarbamate
CID 116799026

Frequently Asked Questions

What is the IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate?
The IUPAC name of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate (CID 18205232) is (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate.
What is the SMILES notation for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate?
The canonical SMILES for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate is O=C1CCc2cc(OC(=O)CCN3C(=O)c4ccccc4C3=O)ccc2N1.
What is the InChIKey of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate?
The InChIKey is STZOEOJBPINPIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O5/c23-17-8-5-12-11-13(6-7-16(12)21-17)27-18(24)9-10-22-19(25)14-3-1-2-4-15(14)20(22)26/h1-4,6-7,11H,5,8-10H2,(H,21,23).
What are the key properties of (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate?
(2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate has a molecular weight of 364.36 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-oxo-3,4-dihydro-1H-quinolin-6-yl) 3-(1,3-dioxoisoindol-2-yl)propanoate is sourced from PubChem (CID 18205232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).