ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate

C19H15ClFNO3 — CID 86300870

IUPACethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)ccc2c1
InChIInChI=1S/C19H15ClFNO3/c1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-17(21)16(20)7-12/h3-10H,2,11H2,1H3
InChIKeyIBDANCMTGXPOPD-UHFFFAOYSA-N
MW359.78 g/mol
LogP4.78
Rot. Bonds5

About ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate

ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate (PubChem CID 86300870) has the molecular formula C19H15ClFNO3 and a molecular weight of 359.78 g/mol. Its IUPAC name is ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate.

Molecular Properties

Compound Nameethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate
PubChem CID86300870
Molecular FormulaC19H15ClFNO3
Molecular Weight359.78 g/mol
Exact Mass359.07
IUPAC Nameethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate
SMILESCCOC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)ccc2c1
InChIInChI=1S/C19H15ClFNO3/c1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-17(21)16(20)7-12/h3-10H,2,11H2,1H3
InChIKeyIBDANCMTGXPOPD-UHFFFAOYSA-N
XLogP4.78
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.78
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Ethyl 4-chloro-6-methoxyquinoline-3-carboxylate
CID 304558
4-(3-Chloro-4-methoxy-benzylamino)-6-cyano-8-ethyl-quinoline-3-carboxylic acid ethyl ester
CID 44287318
Ethyl 4-Chloroquinoline-3-carboxylate
CID 268963
2-[7-[(3-Fluorophenyl)methoxy]quinolin-3-yl]acetamide
CID 86296847
4-(3-Chloro-4-fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 10292887
4-(3-Chloro-4-methoxyphenylmethylamino)-6-cyanoquinoline-3-carboxylic acid ethyl ester
CID 10294138
4-(2-Chloro-4-fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170249
4-(4-Chloro-2-fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 22170305
4-(3-Chloro-2-fluoroanilino)-7-ethoxy-6-(4-methylpiperazin-1-yl)quinoline-3-carboxamide
CID 24759665
4-(3-Chloro-4-methoxy-benzylamino)-7-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester
CID 44286951
4-(3-Chloro-4-methoxy-benzylamino)-6-trifluoromethyl-quinoline-3-carboxylic acid ethyl ester
CID 44287071
5-(2-(2-(4-Fluorobenzyloxy)-5-chlorophenyl)cyclopent-1-enyl)-2-methylnicotinic acid
CID 44430775

Frequently Asked Questions

What is the IUPAC name of ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate?
The IUPAC name of ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate (CID 86300870) is ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate.
What is the SMILES notation for ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate?
The canonical SMILES for ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate is CCOC(=O)c1cnc2cc(OCc3ccc(F)c(Cl)c3)ccc2c1.
What is the InChIKey of ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate?
The InChIKey is IBDANCMTGXPOPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClFNO3/c1-2-24-19(23)14-8-13-4-5-15(9-18(13)22-10-14)25-11-12-3-6-17(21)16(20)7-12/h3-10H,2,11H2,1H3.
What are the key properties of ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate?
ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate has a molecular weight of 359.78 g/mol, XLogP of 4.78, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 7-[(3-chloro-4-fluorophenyl)methoxy]quinoline-3-carboxylate is sourced from PubChem (CID 86300870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).