ethyl 4-chloro-8-phenylquinoline-3-carboxylate

C18H14ClNO2 — CID 18549723

IUPACethyl 4-chloro-8-phenylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)cccc2c1Cl
InChIInChI=1S/C18H14ClNO2/c1-2-22-18(21)15-11-20-17-13(12-7-4-3-5-8-12)9-6-10-14(17)16(15)19/h3-11H,2H2,1H3
InChIKeyVWVPBLLIVVAAPY-UHFFFAOYSA-N
MW311.77 g/mol
LogP4.73
Rot. Bonds3

About ethyl 4-chloro-8-phenylquinoline-3-carboxylate

ethyl 4-chloro-8-phenylquinoline-3-carboxylate (PubChem CID 18549723) has the molecular formula C18H14ClNO2 and a molecular weight of 311.77 g/mol. Its IUPAC name is ethyl 4-chloro-8-phenylquinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-chloro-8-phenylquinoline-3-carboxylate
PubChem CID18549723
Molecular FormulaC18H14ClNO2
Molecular Weight311.77 g/mol
Exact Mass311.07
IUPAC Nameethyl 4-chloro-8-phenylquinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2c(-c3ccccc3)cccc2c1Cl
InChIInChI=1S/C18H14ClNO2/c1-2-22-18(21)15-11-20-17-13(12-7-4-3-5-8-12)9-6-10-14(17)16(15)19/h3-11H,2H2,1H3
InChIKeyVWVPBLLIVVAAPY-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 4,8-dichloroquinoline-3-carboxylate
CID 728974
ethyl 4-chloro-8-iodoquinoline-3-carboxylate
CID 11792955
ethyl 4-chloro-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 29272013
ethyl 4-bromo-8-(4-isocyanophenyl)quinoline-3-carboxylate
CID 140791884
ethyl 4-anilino-8-chloroquinoline-3-carboxylate
CID 728783
2-[(4,8-dichloro-3-ethoxycarbonylquinolin-7-yl)-methylamino]acetic acid
CID 122052207
4-chloro-8-phenylquinolin-3-amine
CID 102614156
ethyl 8-methoxy-4-[4-(2-methoxyphenyl)phenyl]quinoline-3-carboxylate
CID 162662540
ethyl 4-bromo-8-chloroquinoline-3-carboxylate
CID 17040074
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
ethyl 4-chloro-5,8-difluoroquinoline-3-carboxylate
CID 17040076
ethyl 4-chloro-6,8-dimethylquinoline-3-carboxylate
CID 3352918

Frequently Asked Questions

What is the IUPAC name of ethyl 4-chloro-8-phenylquinoline-3-carboxylate?
The IUPAC name of ethyl 4-chloro-8-phenylquinoline-3-carboxylate (CID 18549723) is ethyl 4-chloro-8-phenylquinoline-3-carboxylate.
What is the SMILES notation for ethyl 4-chloro-8-phenylquinoline-3-carboxylate?
The canonical SMILES for ethyl 4-chloro-8-phenylquinoline-3-carboxylate is CCOC(=O)c1cnc2c(-c3ccccc3)cccc2c1Cl.
What is the InChIKey of ethyl 4-chloro-8-phenylquinoline-3-carboxylate?
The InChIKey is VWVPBLLIVVAAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO2/c1-2-22-18(21)15-11-20-17-13(12-7-4-3-5-8-12)9-6-10-14(17)16(15)19/h3-11H,2H2,1H3.
What are the key properties of ethyl 4-chloro-8-phenylquinoline-3-carboxylate?
ethyl 4-chloro-8-phenylquinoline-3-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 4-chloro-8-phenylquinoline-3-carboxylate is sourced from PubChem (CID 18549723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).