N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C19H17ClN2O4 — CID 54679597

IUPACN-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c(O)c2ccccc21
InChIInChI=1S/C19H17ClN2O4/c1-3-22-14-7-5-4-6-12(14)17(23)16(19(22)25)18(24)21-13-10-11(20)8-9-15(13)26-2/h4-10,23H,3H2,1-2H3,(H,21,24)
InChIKeyYQFZDUQQYULZPM-UHFFFAOYSA-N
MW372.81 g/mol
LogP3.64
Rot. Bonds4

About N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54679597) has the molecular formula C19H17ClN2O4 and a molecular weight of 372.81 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54679597
Molecular FormulaC19H17ClN2O4
Molecular Weight372.81 g/mol
Exact Mass372.09
IUPAC NameN-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c(O)c2ccccc21
InChIInChI=1S/C19H17ClN2O4/c1-3-22-14-7-5-4-6-12(14)17(23)16(19(22)25)18(24)21-13-10-11(20)8-9-15(13)26-2/h4-10,23H,3H2,1-2H3,(H,21,24)
InChIKeyYQFZDUQQYULZPM-UHFFFAOYSA-N
XLogP3.64
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54679597) is N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)Nc2cc(Cl)ccc2OC)c(O)c2ccccc21.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is YQFZDUQQYULZPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O4/c1-3-22-14-7-5-4-6-12(14)17(23)16(19(22)25)18(24)21-13-10-11(20)8-9-15(13)26-2/h4-10,23H,3H2,1-2H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 372.81 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54679597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).