methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate

C12H14ClNO2 — CID 117193461

IUPACmethyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCOC(=O)C1(C)CCc2ccc(Cl)cc2N1
InChIInChI=1S/C12H14ClNO2/c1-12(11(15)16-2)6-5-8-3-4-9(13)7-10(8)14-12/h3-4,7,14H,5-6H2,1-2H3
InChIKeyBNABIBCBGPIAGC-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.63
Rot. Bonds1

About methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate

methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate (PubChem CID 117193461) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
PubChem CID117193461
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Namemethyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
SMILESCOC(=O)C1(C)CCc2ccc(Cl)cc2N1
InChIInChI=1S/C12H14ClNO2/c1-12(11(15)16-2)6-5-8-3-4-9(13)7-10(8)14-12/h3-4,7,14H,5-6H2,1-2H3
InChIKeyBNABIBCBGPIAGC-UHFFFAOYSA-N
XLogP2.63
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 5-chloro-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193319
7-hydroxy-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylic acid
CID 117193469
methyl 8-bromo-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193490
methyl 5-bromo-2-methyl-1,3-dihydroindole-2-carboxylate
CID 117193320
methyl 7-bromo-2-ethyl-3,4-dihydro-1H-quinoline-2-carboxylate
CID 117193468
methyl 1-(5-chloro-2-fluorophenyl)cyclopropane-1-carboxylate
CID 116964008
6-chloro-2,2-dimethyl-1,3-dihydroindole
CID 84718600
methyl 1-(2,4-dichlorophenyl)cyclopentane-1-carboxylate
CID 3454678
methyl 6-chloro-1-cyano-3,4-dihydro-2H-naphthalene-1-carboxylate
CID 139467780
methyl 3-(2,4-dichlorophenyl)-2,3-dimethyloxirane-2-carboxylate
CID 66436974
dimethyl 6-chloro-3-oxo-2H-isoindole-1,1-dicarboxylate
CID 125471489
methyl 1-(4-chlorophenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842803

Frequently Asked Questions

What is the IUPAC name of methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate?
The IUPAC name of methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate (CID 117193461) is methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate.
What is the SMILES notation for methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate?
The canonical SMILES for methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate is COC(=O)C1(C)CCc2ccc(Cl)cc2N1.
What is the InChIKey of methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate?
The InChIKey is BNABIBCBGPIAGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-12(11(15)16-2)6-5-8-3-4-9(13)7-10(8)14-12/h3-4,7,14H,5-6H2,1-2H3.
What are the key properties of methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate?
methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 2.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-chloro-2-methyl-3,4-dihydro-1H-quinoline-2-carboxylate is sourced from PubChem (CID 117193461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).