ethyl 6-chloro-4-phenylquinoline-2-carboxylate

C18H14ClNO2 — CID 53355070

IUPACethyl 6-chloro-4-phenylquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H14ClNO2/c1-2-22-18(21)17-11-14(12-6-4-3-5-7-12)15-10-13(19)8-9-16(15)20-17/h3-11H,2H2,1H3
InChIKeyZTAJONLGTIPBDA-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.73
Rot. Bonds3

About ethyl 6-chloro-4-phenylquinoline-2-carboxylate

ethyl 6-chloro-4-phenylquinoline-2-carboxylate (PubChem CID 53355070) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is ethyl 6-chloro-4-phenylquinoline-2-carboxylate.

Molecular Properties

Compound Nameethyl 6-chloro-4-phenylquinoline-2-carboxylate
PubChem CID53355070
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Nameethyl 6-chloro-4-phenylquinoline-2-carboxylate
SMILESCCOC(=O)c1cc(-c2ccccc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C18H14ClNO2/c1-2-22-18(21)17-11-14(12-6-4-3-5-7-12)15-10-13(19)8-9-16(15)20-17/h3-11H,2H2,1H3
InChIKeyZTAJONLGTIPBDA-UHFFFAOYSA-N
XLogP4.73
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 54.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
ethyl 6-chloro-4-(3-chloroanilino)quinoline-2-carboxylate
CID 46507263
ethyl 6-methoxy-4-naphthalen-2-ylquinoline-2-carboxylate
CID 132534382
ethane;ethyl 4-chloro-6-phenylpyridine-2-carboxylate
CID 143874733
ethyl 4-fluoroquinoline-2-carboxylate
CID 125473134
6-chloro-2-ethyl-4-phenylquinoline
CID 622532
ethyl 6-chloro-4-(3,4-difluoroanilino)quinoline-2-carboxylate
CID 22425307
ethyl 8-chloro-1-(4-methoxyphenyl)-4-phenylpyrido[3,2-b]indole-2-carboxylate
CID 132546435
diethyl 6-benzyl-4-phenylpyridine-2,5-dicarboxylate
CID 102202429
ethyl 7-chloro-1-(2-oxo-1-phenylbutyl)isoquinoline-3-carboxylate
CID 24879579
ethyl 2,6-diphenylpyrimidine-4-carboxylate
CID 15372800
ethyl 6-chloro-4-[2-[(4-methylphenyl)methylamino]-2-oxoethoxy]quinoline-2-carboxylate
CID 53043313

Frequently Asked Questions

What is the IUPAC name of ethyl 6-chloro-4-phenylquinoline-2-carboxylate?
The IUPAC name of ethyl 6-chloro-4-phenylquinoline-2-carboxylate (CID 53355070) is ethyl 6-chloro-4-phenylquinoline-2-carboxylate.
What is the SMILES notation for ethyl 6-chloro-4-phenylquinoline-2-carboxylate?
The canonical SMILES for ethyl 6-chloro-4-phenylquinoline-2-carboxylate is CCOC(=O)c1cc(-c2ccccc2)c2cc(Cl)ccc2n1.
What is the InChIKey of ethyl 6-chloro-4-phenylquinoline-2-carboxylate?
The InChIKey is ZTAJONLGTIPBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-2-22-18(21)17-11-14(12-6-4-3-5-7-12)15-10-13(19)8-9-16(15)20-17/h3-11H,2H2,1H3.
What are the key properties of ethyl 6-chloro-4-phenylquinoline-2-carboxylate?
ethyl 6-chloro-4-phenylquinoline-2-carboxylate has a molecular weight of 311.77 g/mol, XLogP of 4.73, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-chloro-4-phenylquinoline-2-carboxylate is sourced from PubChem (CID 53355070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).