2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate

C11H14ClNO2 — CID 142459646

IUPAC2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate
SMILESCOC=O.ClC1CCc2ccccc2N1
InChIInChI=1S/C9H10ClN.C2H4O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-4-2-3/h1-4,9,11H,5-6H2;2H,1H3
InChIKeyRUWSTAZGFFUFGN-UHFFFAOYSA-N
MW227.69 g/mol
LogP2.40
Rot. Bonds1

About 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate

2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate (PubChem CID 142459646) has the molecular formula C11H14ClNO2 and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate.

Molecular Properties

Compound Name2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate
PubChem CID142459646
Molecular FormulaC11H14ClNO2
Molecular Weight227.69 g/mol
Exact Mass227.07
IUPAC Name2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate
SMILESCOC=O.ClC1CCc2ccccc2N1
InChIInChI=1S/C9H10ClN.C2H4O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-4-2-3/h1-4,9,11H,5-6H2;2H,1H3
InChIKeyRUWSTAZGFFUFGN-UHFFFAOYSA-N
XLogP2.40
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1,2,3,4-tetrahydroquinoline;titanium
CID 158265975
trimethyl(1,2,3,4-tetrahydroquinolin-2-yl)silane
CID 15654414
argon;1,2,3,4-tetrahydroquinoline-2-carboxylic acid
CID 158312958
1,1-dichloro-3-(1,2,3,4-tetrahydroquinolin-2-yl)propan-2-one
CID 54269728
2-diethoxyphosphoryl-1,2,3,4-tetrahydroquinoline
CID 140968495
formic acid;2-methyl-2,3-dihydro-1H-indole
CID 144722451
(4-methoxypiperidin-1-yl)-(1,2,3,4-tetrahydroquinolin-2-yl)methanone
CID 43373219
2-[(2S)-1,2,3,4-tetrahydroquinolin-2-yl]acetonitrile
CID 10464768
1,2,3,4-tetrahydroquinolin-2-ylhydrazine
CID 91755653
2-(iodomethyl)-1,2,3,4-tetrahydroquinoline
CID 11778039
1-methoxy-2-(1,2,3,4-tetrahydroquinolin-2-yl)butan-2-ol
CID 65042148
(2R)-2-(3,5-dimethylphenyl)-1,2,3,4-tetrahydroquinoline
CID 122382632

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate?
The IUPAC name of 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate (CID 142459646) is 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate.
What is the SMILES notation for 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate?
The canonical SMILES for 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate is COC=O.ClC1CCc2ccccc2N1.
What is the InChIKey of 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate?
The InChIKey is RUWSTAZGFFUFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN.C2H4O2/c10-9-6-5-7-3-1-2-4-8(7)11-9;1-4-2-3/h1-4,9,11H,5-6H2;2H,1H3.
What are the key properties of 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate?
2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate has a molecular weight of 227.69 g/mol, XLogP of 2.40, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1,2,3,4-tetrahydroquinoline;methyl formate is sourced from PubChem (CID 142459646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).