methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate

C11H11Cl2NO2 — CID 54269267

IUPACmethyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESCOC(=O)C1C(Cl)Cc2ccccc2N1Cl
InChIInChI=1S/C11H11Cl2NO2/c1-16-11(15)10-8(12)6-7-4-2-3-5-9(7)14(10)13/h2-5,8,10H,6H2,1H3
InChIKeyRIZRNTPJVCSWGW-UHFFFAOYSA-N
MW260.12 g/mol
LogP2.35
Rot. Bonds1

About methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate

methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate (PubChem CID 54269267) has the molecular formula C11H11Cl2NO2 and a molecular weight of 260.12 g/mol. Its IUPAC name is methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate
PubChem CID54269267
Molecular FormulaC11H11Cl2NO2
Molecular Weight260.12 g/mol
Exact Mass259.02
IUPAC Namemethyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate
SMILESCOC(=O)C1C(Cl)Cc2ccccc2N1Cl
InChIInChI=1S/C11H11Cl2NO2/c1-16-11(15)10-8(12)6-7-4-2-3-5-9(7)14(10)13/h2-5,8,10H,6H2,1H3
InChIKeyRIZRNTPJVCSWGW-UHFFFAOYSA-N
XLogP2.35
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

Methyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 2736972
Ethyl 1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 338259
6-Fluoro-1,2,3,4-tetrahydro-quinoline-2-carboxylic acid methyl ester
CID 83813715
ethyl 1-(4-ethoxy-4-oxobutyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 4224999
Methyl 6-chloro-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 11096285
Methyl (2R)-1,2,3,4-tetrahydro-2-quinolinecarboxylate
CID 6927639
Methyl (2S)-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 6927640
methyl 1-(2,2,2-trifluoroacetyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 19963234
Methyl 7-fluoro-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 20613799
methyl (2R)-6-fluoro-1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 33695020
methyl 1-methyl-7-(trifluoromethyl)-3,4-dihydro-2H-quinoline-2-carboxylate
CID 66684501
Fluoro 1,2,3,4-tetrahydroquinoline-2-carboxylate
CID 145505004

Frequently Asked Questions

What is the IUPAC name of methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate?
The IUPAC name of methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate (CID 54269267) is methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate?
The canonical SMILES for methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate is COC(=O)C1C(Cl)Cc2ccccc2N1Cl.
What is the InChIKey of methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate?
The InChIKey is RIZRNTPJVCSWGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO2/c1-16-11(15)10-8(12)6-7-4-2-3-5-9(7)14(10)13/h2-5,8,10H,6H2,1H3.
What are the key properties of methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate?
methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate has a molecular weight of 260.12 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,3-dichloro-3,4-dihydro-2H-quinoline-2-carboxylate is sourced from PubChem (CID 54269267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).