methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate

C11H12ClNO2 — CID 82473511

IUPACmethyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6H2,1H3
InChIKeyJIKPMPMKSFQVOF-UHFFFAOYSA-N
MW225.68 g/mol
LogP2.86
Rot. Bonds

About methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate

methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate (PubChem CID 82473511) has the molecular formula C11H12ClNO2 and a molecular weight of 225.68 g/mol. Its IUPAC name is methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate.

Molecular Properties

Compound Namemethyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
PubChem CID82473511
Molecular FormulaC11H12ClNO2
Molecular Weight225.68 g/mol
Exact Mass225.06
IUPAC Namemethyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate
SMILESCOC(=O)N1CCCc2cc(Cl)ccc21
InChIInChI=1S/C11H12ClNO2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6H2,1H3
InChIKeyJIKPMPMKSFQVOF-UHFFFAOYSA-N
XLogP2.86
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-chloro-N-propan-2-yl-3,4-dihydro-2H-quinoline-1-carboxamide
CID 110747484
6-chloro-N-(4-chlorophenyl)-3,4-dihydro-2H-quinoline-1-carboxamide
CID 134093336
methyl 6-[[amino-(diaminomethylideneamino)methylidene]amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 168601999
methyl 5-fluoro-2,3-dihydroindole-1-carboxylate
CID 110713972
7-chloro-N-phenyl-2,3,4,5-tetrahydro-1-benzazepine-1-carboxamide
CID 69222522
methyl 6-[(1S,2S,6S,7S)-3,5-dioxo-4-azatricyclo[5.2.1.02,6]dec-8-en-4-yl]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 18557412
5-chloro-2,3-dihydroindole-1-carboxylic acid
CID 68859490
N-[3-(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-1-(4-methoxyphenyl)-3-oxopropyl]acetamide
CID 86929724
(6-chloro-3,4-dihydro-2H-quinolin-1-yl)-(2-methylsulfonylphenyl)methanone
CID 86929717
methyl 6-[(2,3,4-trimethoxybenzoyl)amino]-3,4-dihydro-2H-quinoline-1-carboxylate
CID 16766254
[2-chloro-4-(dimethylamino)phenyl]-(7-chloro-2,3,4,5-tetrahydro-1-benzazepin-1-yl)methanone
CID 10498917
N-(4-chloro-2-methylphenyl)-2-(3,4-dihydro-2H-quinolin-1-yl)-2-oxoacetamide
CID 108505647

Frequently Asked Questions

What is the IUPAC name of methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The IUPAC name of methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate (CID 82473511) is methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate.
What is the SMILES notation for methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The canonical SMILES for methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate is COC(=O)N1CCCc2cc(Cl)ccc21.
What is the InChIKey of methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
The InChIKey is JIKPMPMKSFQVOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO2/c1-15-11(14)13-6-2-3-8-7-9(12)4-5-10(8)13/h4-5,7H,2-3,6H2,1H3.
What are the key properties of methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate?
methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate has a molecular weight of 225.68 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-chloro-3,4-dihydro-2H-quinoline-1-carboxylate is sourced from PubChem (CID 82473511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).