ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

C15H22N2O4 — CID 15480678

IUPACethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2cc(OC)c(OC)cc2[C@@H](N)C[C@H]1C
InChIInChI=1S/C15H22N2O4/c1-5-21-15(18)17-9(2)6-11(16)10-7-13(19-3)14(20-4)8-12(10)17/h7-9,11H,5-6,16H2,1-4H3/t9-,11+/m1/s1
InChIKeyWRRBGFZMJMJTLQ-KOLCDFICSA-N
MW294.35 g/mol
LogP2.46
Rot. Bonds3

About ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate

ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 15480678) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Nameethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID15480678
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Nameethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCCOC(=O)N1c2cc(OC)c(OC)cc2[C@@H](N)C[C@H]1C
InChIInChI=1S/C15H22N2O4/c1-5-21-15(18)17-9(2)6-11(16)10-7-13(19-3)14(20-4)8-12(10)17/h7-9,11H,5-6,16H2,1-4H3/t9-,11+/m1/s1
InChIKeyWRRBGFZMJMJTLQ-KOLCDFICSA-N
XLogP2.46
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate (CID 15480678) is ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is CCOC(=O)N1c2cc(OC)c(OC)cc2[C@@H](N)C[C@H]1C.
What is the InChIKey of ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is WRRBGFZMJMJTLQ-KOLCDFICSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-5-21-15(18)17-9(2)6-11(16)10-7-13(19-3)14(20-4)8-12(10)17/h7-9,11H,5-6,16H2,1-4H3/t9-,11+/m1/s1.
What are the key properties of ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate?
ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 294.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (2R,4S)-4-amino-6,7-dimethoxy-2-methyl-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 15480678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).