2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide

C20H19ClN2O2 — CID 55958040

IUPAC2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C20H19ClN2O2/c1-3-25-18-7-5-4-6-16(18)13-23(2)20(24)15-8-10-17-14(12-15)9-11-19(21)22-17/h4-12H,3,13H2,1-2H3
InChIKeyQMGFAUZXGLYORE-UHFFFAOYSA-N
MW354.84 g/mol
LogP4.56
Rot. Bonds5

About 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide

2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide (PubChem CID 55958040) has the molecular formula C20H19ClN2O2 and a molecular weight of 354.84 g/mol. Its IUPAC name is 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
PubChem CID55958040
Molecular FormulaC20H19ClN2O2
Molecular Weight354.84 g/mol
Exact Mass354.11
IUPAC Name2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide
SMILESCCOc1ccccc1CN(C)C(=O)c1ccc2nc(Cl)ccc2c1
InChIInChI=1S/C20H19ClN2O2/c1-3-25-18-7-5-4-6-16(18)13-23(2)20(24)15-8-10-17-14(12-15)9-11-19(21)22-17/h4-12H,3,13H2,1-2H3
InChIKeyQMGFAUZXGLYORE-UHFFFAOYSA-N
XLogP4.56
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[(2,4-difluorophenyl)methyl]-N-methylquinoline-6-carboxamide
CID 55730341
N-[(2-ethoxyphenyl)methyl]-3-iodo-N-methylbenzamide
CID 61026834
2-chloro-N-(2-hydroxy-2-methylpropyl)-N-methylquinoline-6-carboxamide
CID 111663099
4-(dimethylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55860503
4-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81230248
3-bromo-N-[(2-ethoxyphenyl)methyl]-5-fluoro-N-methylbenzamide
CID 55861656
3-chloro-N-[(2-ethoxyphenyl)methyl]-5-methoxy-N-methyl-4-propoxybenzamide
CID 60526368
3-(cyclopropylcarbamoylamino)-N-[(2-ethoxyphenyl)methyl]-N-methylbenzamide
CID 55957402
3-ethoxy-4-methoxy-N-methyl-N-[(2-methylphenyl)methyl]benzamide
CID 134028026
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-nitro-4-pyrrolidin-1-ylbenzamide
CID 55861020
N-[(2-ethoxyphenyl)methyl]-N-methyl-3-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55958037
3-(tert-butylsulfamoyl)-N-[(2-ethoxyphenyl)methyl]-4-methoxy-N-methylbenzamide
CID 55861150

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide?
The IUPAC name of 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide (CID 55958040) is 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide.
What is the SMILES notation for 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide?
The canonical SMILES for 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide is CCOc1ccccc1CN(C)C(=O)c1ccc2nc(Cl)ccc2c1.
What is the InChIKey of 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide?
The InChIKey is QMGFAUZXGLYORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN2O2/c1-3-25-18-7-5-4-6-16(18)13-23(2)20(24)15-8-10-17-14(12-15)9-11-19(21)22-17/h4-12H,3,13H2,1-2H3.
What are the key properties of 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide?
2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 4.56, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(2-ethoxyphenyl)methyl]-N-methylquinoline-6-carboxamide is sourced from PubChem (CID 55958040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).