methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

C16H17Cl2NO3 — CID 75466524

IUPACmethyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C16H17Cl2NO3/c1-15(9-16(15,17)18)14(21)19-8-4-6-10-11(13(20)22-2)5-3-7-12(10)19/h3,5,7H,4,6,8-9H2,1-2H3
InChIKeyDPCOWPKVWSQXHU-UHFFFAOYSA-N
MW342.22 g/mol
LogP3.34
Rot. Bonds2

About methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate

methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate (PubChem CID 75466524) has the molecular formula C16H17Cl2NO3 and a molecular weight of 342.22 g/mol. Its IUPAC name is methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
PubChem CID75466524
Molecular FormulaC16H17Cl2NO3
Molecular Weight342.22 g/mol
Exact Mass341.06
IUPAC Namemethyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
SMILESCOC(=O)c1cccc2c1CCCN2C(=O)C1(C)CC1(Cl)Cl
InChIInChI=1S/C16H17Cl2NO3/c1-15(9-16(15,17)18)14(21)19-8-4-6-10-11(13(20)22-2)5-3-7-12(10)19/h3,5,7H,4,6,8-9H2,1-2H3
InChIKeyDPCOWPKVWSQXHU-UHFFFAOYSA-N
XLogP3.34
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 1-prop-2-enoyl-2,3-dihydroindole-4-carboxylate
CID 89003521
(2,2-dichloro-1-methylcyclopropyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 42929684
methyl 1-[2-(4-iodophenoxy)acetyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 134033526
methyl 1-(2,3-dihydro-1-benzofuran-2-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 42890375
methyl 1-[3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 134052980
methyl 1-(2-phenyl-1,3-thiazole-4-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate
CID 94615225
methyl 1-[(1R,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 97009904
methyl 1-[2-hydroxy-3-(2-methylphenoxy)propyl]-3,4-dihydro-2H-quinoline-5-carboxylate
CID 71888209
1-O-tert-butyl 5-O-(chloromethyl) 3,4-dihydro-2H-quinoline-1,5-dicarboxylate
CID 165439271
methyl 1-[3-(trifluoromethyl)phenyl]-2,3-dihydroindole-4-carboxylate
CID 122476316
1-(3-methoxy-3-methylbutanoyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 103018301
methyl 3-amino-2-(3,4-dihydro-2H-quinolin-1-yl)benzoate
CID 115934046

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The IUPAC name of methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate (CID 75466524) is methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate.
What is the SMILES notation for methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The canonical SMILES for methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate is COC(=O)c1cccc2c1CCCN2C(=O)C1(C)CC1(Cl)Cl.
What is the InChIKey of methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
The InChIKey is DPCOWPKVWSQXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17Cl2NO3/c1-15(9-16(15,17)18)14(21)19-8-4-6-10-11(13(20)22-2)5-3-7-12(10)19/h3,5,7H,4,6,8-9H2,1-2H3.
What are the key properties of methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate?
methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate has a molecular weight of 342.22 g/mol, XLogP of 3.34, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2,2-dichloro-1-methylcyclopropanecarbonyl)-3,4-dihydro-2H-quinoline-5-carboxylate is sourced from PubChem (CID 75466524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).