ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate

C12H14ClNO2 — CID 167560539

IUPACethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C12H14ClNO2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h7H,2-6H2,1H3
InChIKeyIAXWAPDRRYPSRC-UHFFFAOYSA-N
MW239.70 g/mol
LogP2.79
Rot. Bonds2

About ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate

ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate (PubChem CID 167560539) has the molecular formula C12H14ClNO2 and a molecular weight of 239.70 g/mol. Its IUPAC name is ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate
PubChem CID167560539
Molecular FormulaC12H14ClNO2
Molecular Weight239.70 g/mol
Exact Mass239.07
IUPAC Nameethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(Cl)c2c(n1)CCCC2
InChIInChI=1S/C12H14ClNO2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h7H,2-6H2,1H3
InChIKeyIAXWAPDRRYPSRC-UHFFFAOYSA-N
XLogP2.79
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.70
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 4-piperidin-1-yl-5,6,7,8-tetrahydroquinoline-2-carboxylate
CID 167560541
ethyl 4-chloro-6-methyl-5,6,7,8-tetrahydro-1,7-naphthyridine-2-carboxylate
CID 118902551
ethyl 2-(3-methyl-4,5,6,7-tetrahydroindazol-2-yl)-1,3-thiazole-4-carboxylate
CID 17038813
ethyl 2-chloro-6-methylpyrimidine-4-carboxylate
CID 2736385
ethyl 4-[(9-chloro-5,6,7,8-tetrahydroacridine-3-carbonyl)amino]benzoate
CID 46256310
ethyl 4-chloro-6-(difluoromethyl)-5-methylpyridine-2-carboxylate
CID 134663788
ethyl 5-chloro-4-methylpyridine-2-carboxylate
CID 13481444
2-chloroprop-2-enyl 2-methyl-5,6,7,8-tetrahydroquinoline-4-carboxylate
CID 166389622
diethyl 4-aminopyridine-2,6-dicarboxylate;hydrochloride
CID 137333254
ethyl 3-(3-chlorophenoxy)-5,6,7,8-tetrahydrocinnoline-4-carboxylate
CID 162357623
ethyl 5-(bromomethyl)-4-chloro-6-(difluoromethyl)pyridine-2-carboxylate
CID 134662410
ethane;ethyl 4-amino-5,7-dichloroquinoline-2-carboxylate
CID 143442535

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The IUPAC name of ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate (CID 167560539) is ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate.
What is the SMILES notation for ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The canonical SMILES for ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate is CCOC(=O)c1cc(Cl)c2c(n1)CCCC2.
What is the InChIKey of ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate?
The InChIKey is IAXWAPDRRYPSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClNO2/c1-2-16-12(15)11-7-9(13)8-5-3-4-6-10(8)14-11/h7H,2-6H2,1H3.
What are the key properties of ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate?
ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate has a molecular weight of 239.70 g/mol, XLogP of 2.79, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-chloro-5,6,7,8-tetrahydroquinoline-2-carboxylate is sourced from PubChem (CID 167560539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).