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

C19H17ClN2O3 — CID 54686746

IUPACN-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H17ClN2O3/c1-22-15-5-3-2-4-14(15)17(23)16(19(22)25)18(24)21-11-10-12-6-8-13(20)9-7-12/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyBSVYIXNUCHGZJO-UHFFFAOYSA-N
MW356.81 g/mol
LogP2.87
Rot. Bonds4

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

N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (PubChem CID 54686746) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
PubChem CID54686746
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide
SMILESCn1c(=O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c2ccccc21
InChIInChI=1S/C19H17ClN2O3/c1-22-15-5-3-2-4-14(15)17(23)16(19(22)25)18(24)21-11-10-12-6-8-13(20)9-7-12/h2-9,23H,10-11H2,1H3,(H,21,24)
InChIKeyBSVYIXNUCHGZJO-UHFFFAOYSA-N
XLogP2.87
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 ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

CID 54677946
CID 54677946
CID 54676478
CID 54676478
CID 54684617
CID 54684617
CID 54697468
CID 54697468
CID 54685215
CID 54685215
CID 54677800
CID 54677800
CID 54680441
CID 54680441
CID 54679386
CID 54679386
CID 135470372
CID 135470372
CID 54683118
CID 54683118
CID 54687004
CID 54687004
CID 54682638
CID 54682638

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide (CID 54686746) is N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is Cn1c(=O)c(C(=O)NCCc2ccc(Cl)cc2)c(O)c2ccccc21.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
The InChIKey is BSVYIXNUCHGZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-22-15-5-3-2-4-14(15)17(23)16(19(22)25)18(24)21-11-10-12-6-8-13(20)9-7-12/h2-9,23H,10-11H2,1H3,(H,21,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide?
N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 2.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxamide is sourced from PubChem (CID 54686746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).