2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

C18H14ClNO5 — CID 54735343

IUPAC2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESO=C(OCCc1cccc(O)c1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C18H14ClNO5/c19-11-4-5-13-14(9-11)20-17(23)15(16(13)22)18(24)25-7-6-10-2-1-3-12(21)8-10/h1-5,8-9,21H,6-7H2,(H2,20,22,23)
InChIKeyGTLKHUCYVNUDSM-UHFFFAOYSA-N
MW359.77 g/mol
LogP2.99
Rot. Bonds4

About 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate

2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (PubChem CID 54735343) has the molecular formula C18H14ClNO5 and a molecular weight of 359.77 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
PubChem CID54735343
Molecular FormulaC18H14ClNO5
Molecular Weight359.77 g/mol
Exact Mass359.06
IUPAC Name2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate
SMILESO=C(OCCc1cccc(O)c1)c1c(O)c2ccc(Cl)cc2[nH]c1=O
InChIInChI=1S/C18H14ClNO5/c19-11-4-5-13-14(9-11)20-17(23)15(16(13)22)18(24)25-7-6-10-2-1-3-12(21)8-10/h1-5,8-9,21H,6-7H2,(H2,20,22,23)
InChIKeyGTLKHUCYVNUDSM-UHFFFAOYSA-N
XLogP2.99
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.77
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The IUPAC name of 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate (CID 54735343) is 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate.
What is the SMILES notation for 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The canonical SMILES for 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is O=C(OCCc1cccc(O)c1)c1c(O)c2ccc(Cl)cc2[nH]c1=O.
What is the InChIKey of 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
The InChIKey is GTLKHUCYVNUDSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClNO5/c19-11-4-5-13-14(9-11)20-17(23)15(16(13)22)18(24)25-7-6-10-2-1-3-12(21)8-10/h1-5,8-9,21H,6-7H2,(H2,20,22,23).
What are the key properties of 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate?
2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate has a molecular weight of 359.77 g/mol, XLogP of 2.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)ethyl 7-chloro-4-hydroxy-2-oxo-1H-quinoline-3-carboxylate is sourced from PubChem (CID 54735343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).