5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide

C19H17ClN2O3 — CID 66957079

IUPAC5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(CCl)cccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O3/c1-2-22(13-8-4-3-5-9-13)19(25)16-17(23)15-12(11-20)7-6-10-14(15)21-18(16)24/h3-10H,2,11H2,1H3,(H2,21,23,24)
InChIKeyZUAQTXAEQGALHK-UHFFFAOYSA-N
MW356.81 g/mol
LogP3.64
Rot. Bonds4

About 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide

5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide (PubChem CID 66957079) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide.

Molecular Properties

Compound Name5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
PubChem CID66957079
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC Name5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
SMILESCCN(C(=O)c1c(O)c2c(CCl)cccc2[nH]c1=O)c1ccccc1
InChIInChI=1S/C19H17ClN2O3/c1-2-22(13-8-4-3-5-9-13)19(25)16-17(23)15-12(11-20)7-6-10-14(15)21-18(16)24/h3-10H,2,11H2,1H3,(H2,21,23,24)
InChIKeyZUAQTXAEQGALHK-UHFFFAOYSA-N
XLogP3.64
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

5-chloro-N-ethyl-4-hydroxy-6-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 66586923
N-ethyl-4,5-dihydroxy-8-methyl-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 90455825
5-chloro-N-ethyl-6-methyl-4-(methylamino)-2-oxo-N-phenyl-1H-quinoline-3-carboxamide
CID 70128244
5-chloro-N-ethyl-4-hydroxy-N-(4-methoxyphenyl)-6-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 70200805
N-ethyl-N-(3-fluorophenyl)-4-hydroxy-5-methoxy-6-methyl-2-oxo-1H-quinoline-3-carboxamide
CID 70199562
zinc N,5-diethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54717328
5-chloro-N-ethyl-4-hydroxy-1-iodo-2-oxo-N-phenylquinoline-3-carboxamide
CID 90334675
sodium bis(5-chloro-N-ethyl-4-hydroxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide)
CID 159773761
N-butyl-N-(3-chlorophenyl)-4-hydroxy-2-oxo-1H-quinoline-3-carboxamide
CID 54690848
N-ethyl-4-hydroxy-5-iodo-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 90346178
N-ethyl-2,3-dihydroxy-N-phenylbenzamide
CID 114343845
N-ethyl-4-hydroxy-5-methoxy-1-methyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 54684693

Frequently Asked Questions

What is the IUPAC name of 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The IUPAC name of 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide (CID 66957079) is 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide.
What is the SMILES notation for 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The canonical SMILES for 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide is CCN(C(=O)c1c(O)c2c(CCl)cccc2[nH]c1=O)c1ccccc1.
What is the InChIKey of 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
The InChIKey is ZUAQTXAEQGALHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-2-22(13-8-4-3-5-9-13)19(25)16-17(23)15-12(11-20)7-6-10-14(15)21-18(16)24/h3-10H,2,11H2,1H3,(H2,21,23,24).
What are the key properties of 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide?
5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(chloromethyl)-N-ethyl-4-hydroxy-2-oxo-N-phenyl-1H-quinoline-3-carboxamide is sourced from PubChem (CID 66957079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).