ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate

C20H23N3O3 — CID 2377074

IUPACethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N2CCCc3ccccc32)c(C)nc1C
InChIInChI=1S/C20H23N3O3/c1-4-26-19(24)16-12-17(14(3)21-13(16)2)22-20(25)23-11-7-9-15-8-5-6-10-18(15)23/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,25)
InChIKeyLXSDCEMBKVPWAW-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.86
Rot. Bonds3

About ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate

ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate (PubChem CID 2377074) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
PubChem CID2377074
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate
SMILESCCOC(=O)c1cc(NC(=O)N2CCCc3ccccc32)c(C)nc1C
InChIInChI=1S/C20H23N3O3/c1-4-26-19(24)16-12-17(14(3)21-13(16)2)22-20(25)23-11-7-9-15-8-5-6-10-18(15)23/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,25)
InChIKeyLXSDCEMBKVPWAW-UHFFFAOYSA-N
XLogP3.86
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The IUPAC name of ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate (CID 2377074) is ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate.
What is the SMILES notation for ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The canonical SMILES for ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate is CCOC(=O)c1cc(NC(=O)N2CCCc3ccccc32)c(C)nc1C.
What is the InChIKey of ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate?
The InChIKey is LXSDCEMBKVPWAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-26-19(24)16-12-17(14(3)21-13(16)2)22-20(25)23-11-7-9-15-8-5-6-10-18(15)23/h5-6,8,10,12H,4,7,9,11H2,1-3H3,(H,22,25).
What are the key properties of ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate?
ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate has a molecular weight of 353.42 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-(3,4-dihydro-2H-quinoline-1-carbonylamino)-2,6-dimethylpyridine-3-carboxylate is sourced from PubChem (CID 2377074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).