2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide

C21H20ClN3O2 — CID 18283329

IUPAC2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2cc(Cl)nc3ccccc23)c(C)c1
InChIInChI=1S/C21H20ClN3O2/c1-12-8-13(2)20(14(3)9-12)25-19(26)11-23-21(27)16-10-18(22)24-17-7-5-4-6-15(16)17/h4-10H,11H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyMBAZTUMHQPWEKK-UHFFFAOYSA-N
MW381.86 g/mol
LogP4.18
Rot. Bonds4

About 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide

2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide (PubChem CID 18283329) has the molecular formula C21H20ClN3O2 and a molecular weight of 381.86 g/mol. Its IUPAC name is 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide
PubChem CID18283329
Molecular FormulaC21H20ClN3O2
Molecular Weight381.86 g/mol
Exact Mass381.12
IUPAC Name2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide
SMILESCc1cc(C)c(NC(=O)CNC(=O)c2cc(Cl)nc3ccccc23)c(C)c1
InChIInChI=1S/C21H20ClN3O2/c1-12-8-13(2)20(14(3)9-12)25-19(26)11-23-21(27)16-10-18(22)24-17-7-5-4-6-15(16)17/h4-10H,11H2,1-3H3,(H,23,27)(H,25,26)
InChIKeyMBAZTUMHQPWEKK-UHFFFAOYSA-N
XLogP4.18
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.86
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-2-phenylquinoline-4-carboxamide
CID 26713872
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-methylquinoline-4-carboxamide
CID 4786592
ethyl 4-[(2-chloroquinoline-4-carbonyl)amino]-3,5-dimethylbenzoate
CID 118174966
N-[2-(2,6-dimethylanilino)-2-oxoethyl]-2-(5-methylfuran-2-yl)quinoline-4-carboxamide
CID 7535629
N-butyl-2-chloroquinoline-4-carboxamide
CID 14813194
2-iodo-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713928
2,4-dimethyl-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]benzamide
CID 26713980
2-(2-chlorophenyl)-N-(2,6-dimethylphenyl)quinoline-4-carboxamide
CID 5128996
2-chloro-N-(5-hydroxypentyl)quinoline-4-carboxamide
CID 107317154
N-[2-(2-chloro-4,6-dimethylanilino)-2-oxoethyl]-2-fluorobenzamide
CID 112998255
2-chloro-N-(4-hydroxy-2,2-dimethylbutyl)quinoline-4-carboxamide
CID 103825258
2-chloro-N-[2-(diethylamino)ethyl]quinoline-4-carboxamide
CID 13255244

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide?
The IUPAC name of 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide (CID 18283329) is 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide.
What is the SMILES notation for 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide?
The canonical SMILES for 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide is Cc1cc(C)c(NC(=O)CNC(=O)c2cc(Cl)nc3ccccc23)c(C)c1.
What is the InChIKey of 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide?
The InChIKey is MBAZTUMHQPWEKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20ClN3O2/c1-12-8-13(2)20(14(3)9-12)25-19(26)11-23-21(27)16-10-18(22)24-17-7-5-4-6-15(16)17/h4-10H,11H2,1-3H3,(H,23,27)(H,25,26).
What are the key properties of 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide?
2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide has a molecular weight of 381.86 g/mol, XLogP of 4.18, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]quinoline-4-carboxamide is sourced from PubChem (CID 18283329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).