ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate

C20H27N3O6S — CID 3237133

IUPACethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C20H27N3O6S/c1-2-29-20(26)15-4-3-11-23(13-15)19(25)9-10-21-30(27,28)16-6-7-17-14(12-16)5-8-18(24)22-17/h6-7,12,15,21H,2-5,8-11,13H2,1H3,(H,22,24)
InChIKeyRBNAWMCBTRIMDW-UHFFFAOYSA-N
MW437.52 g/mol
LogP1.04
Rot. Bonds7

About ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate

ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate (PubChem CID 3237133) has the molecular formula C20H27N3O6S and a molecular weight of 437.52 g/mol. Its IUPAC name is ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate
PubChem CID3237133
Molecular FormulaC20H27N3O6S
Molecular Weight437.52 g/mol
Exact Mass437.16
IUPAC Nameethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1
InChIInChI=1S/C20H27N3O6S/c1-2-29-20(26)15-4-3-11-23(13-15)19(25)9-10-21-30(27,28)16-6-7-17-14(12-16)5-8-18(24)22-17/h6-7,12,15,21H,2-5,8-11,13H2,1H3,(H,22,24)
InChIKeyRBNAWMCBTRIMDW-UHFFFAOYSA-N
XLogP1.04
TPSA121.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.52
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate (CID 3237133) is ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)CCNS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)C1.
What is the InChIKey of ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate?
The InChIKey is RBNAWMCBTRIMDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O6S/c1-2-29-20(26)15-4-3-11-23(13-15)19(25)9-10-21-30(27,28)16-6-7-17-14(12-16)5-8-18(24)22-17/h6-7,12,15,21H,2-5,8-11,13H2,1H3,(H,22,24).
What are the key properties of ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate?
ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate has a molecular weight of 437.52 g/mol, XLogP of 1.04, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-[(2-oxo-3,4-dihydro-1H-quinolin-6-yl)sulfonylamino]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 3237133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).