N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

C19H17ClN2O3 — CID 54687004

IUPACN-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccccc2Cl)c(O)c2ccccc21
InChIInChI=1S/C19H17ClN2O3/c1-2-22-15-10-6-4-8-13(15)17(23)16(19(22)25)18(24)21-11-12-7-3-5-9-14(12)20/h3-10,23H,2,11H2,1H3,(H,21,24)
InChIKeyODRJXPJTNPWOLI-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.31
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide

N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (PubChem CID 54687004) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
PubChem CID54687004
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide
SMILESCCn1c(=O)c(C(=O)NCc2ccccc2Cl)c(O)c2ccccc21
InChIInChI=1S/C19H17ClN2O3/c1-2-22-15-10-6-4-8-13(15)17(23)16(19(22)25)18(24)21-11-12-7-3-5-9-14(12)20/h3-10,23H,2,11H2,1H3,(H,21,24)
InChIKeyODRJXPJTNPWOLI-UHFFFAOYSA-N
XLogP3.31
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide (CID 54687004) is N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is CCn1c(=O)c(C(=O)NCc2ccccc2Cl)c(O)c2ccccc21.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
The InChIKey is ODRJXPJTNPWOLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-2-22-15-10-6-4-8-13(15)17(23)16(19(22)25)18(24)21-11-12-7-3-5-9-14(12)20/h3-10,23H,2,11H2,1H3,(H,21,24).
What are the key properties of N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide?
N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.31, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-1-ethyl-4-hydroxy-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54687004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).