ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate

C17H24N2O3 — CID 90428501

IUPACethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)[C@H](N)[C@@H](C)[C@H](CC)N2C(C)=O
InChIInChI=1S/C17H24N2O3/c1-5-14-10(3)16(18)13-9-12(17(21)22-6-2)7-8-15(13)19(14)11(4)20/h7-10,14,16H,5-6,18H2,1-4H3/t10-,14-,16+/m0/s1
InChIKeyUWNUXXIRYIQHAO-JMPLFQLZSA-N
MW304.39 g/mol
LogP2.64
Rot. Bonds3

About ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate

ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate (PubChem CID 90428501) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate.

Molecular Properties

Compound Nameethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
PubChem CID90428501
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Nameethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
SMILESCCOC(=O)c1ccc2c(c1)[C@H](N)[C@@H](C)[C@H](CC)N2C(C)=O
InChIInChI=1S/C17H24N2O3/c1-5-14-10(3)16(18)13-9-12(17(21)22-6-2)7-8-15(13)19(14)11(4)20/h7-10,14,16H,5-6,18H2,1-4H3/t10-,14-,16+/m0/s1
InChIKeyUWNUXXIRYIQHAO-JMPLFQLZSA-N
XLogP2.64
TPSA72.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

ethyl (3R)-1-acetyl-2-ethyl-3-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 129081309
ethyl (2S,3R)-1-acetyl-2-ethyl-3-methyl-4-(phenylmethoxycarbonylamino)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 130199802
ethyl (2S)-1-acetyl-2,3-dimethyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 139325772
methyl (3R,4S)-1-acetyl-4-[4-[2-[2-[2-[[1-[(3R)-1-acetyl-2-ethyl-6-methoxycarbonyl-3-methyl-3,4-dihydro-2H-quinolin-4-yl]triazol-4-yl]methoxy]ethoxy]ethoxy]ethoxymethyl]triazol-1-yl]-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate
CID 166139129
ethyl (2S,3R,4R)-1-acetyl-2,3-dimethyl-4-[(4-methylpyrimidin-2-yl)amino]-3,4-dihydro-2H-quinoline-6-carboxylate
CID 90434999
ethyl (2S,3R)-1-acetyl-2-cyclopropyl-3-methyl-4-(pyrimidin-2-ylamino)-3,4-dihydro-2H-quinoline-6-carboxylate
CID 129081329
[(2S,3R,4R)-1-acetyl-2-ethyl-6-fluoro-3-methyl-3,4-dihydro-2H-quinolin-4-yl]carbamic acid
CID 90428512
(3R,4R)-1-acetyl-2-ethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 144701745
1-[(3R,4R)-4-amino-2,3-diethyl-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 149069943
ethyl 4-(1-acetyl-4-amino-3,4-dihydro-2H-quinolin-6-yl)benzoate
CID 123208013
1-acetyl-N,2-diethyl-3-methyl-4-[(6-methyl-2-pyridinyl)amino]-3,4-dihydro-2H-quinoline-6-carboxamide
CID 118660258
ethyl 4-acetyl-3-bromobenzoate
CID 70257309

Frequently Asked Questions

What is the IUPAC name of ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The IUPAC name of ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate (CID 90428501) is ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate.
What is the SMILES notation for ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The canonical SMILES for ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate is CCOC(=O)c1ccc2c(c1)[C@H](N)[C@@H](C)[C@H](CC)N2C(C)=O.
What is the InChIKey of ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
The InChIKey is UWNUXXIRYIQHAO-JMPLFQLZSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-5-14-10(3)16(18)13-9-12(17(21)22-6-2)7-8-15(13)19(14)11(4)20/h7-10,14,16H,5-6,18H2,1-4H3/t10-,14-,16+/m0/s1.
What are the key properties of ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate?
ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate has a molecular weight of 304.39 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2S,3R,4R)-1-acetyl-4-amino-2-ethyl-3-methyl-3,4-dihydro-2H-quinoline-6-carboxylate is sourced from PubChem (CID 90428501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).