N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide

C20H20ClN3O2 — CID 46485527

IUPACN-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3N(C)C)cc2c1
InChIInChI=1S/C20H20ClN3O2/c1-12-15(11-13-10-14(26-4)8-9-17(13)22-12)20(25)23-18-7-5-6-16(21)19(18)24(2)3/h5-11H,1-4H3,(H,23,25)
InChIKeyYEQDWFKMRIVBHS-UHFFFAOYSA-N
MW369.85 g/mol
LogP4.52
Rot. Bonds4

About N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide

N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide (PubChem CID 46485527) has the molecular formula C20H20ClN3O2 and a molecular weight of 369.85 g/mol. Its IUPAC name is N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide.

Molecular Properties

Compound NameN-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
PubChem CID46485527
Molecular FormulaC20H20ClN3O2
Molecular Weight369.85 g/mol
Exact Mass369.12
IUPAC NameN-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
SMILESCOc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3N(C)C)cc2c1
InChIInChI=1S/C20H20ClN3O2/c1-12-15(11-13-10-14(26-4)8-9-17(13)22-12)20(25)23-18-7-5-6-16(21)19(18)24(2)3/h5-11H,1-4H3,(H,23,25)
InChIKeyYEQDWFKMRIVBHS-UHFFFAOYSA-N
XLogP4.52
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.85
LogP ≤ 54.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-chloro-N-(2,4-dimethoxyphenyl)-2-methylquinoline-3-carboxamide
CID 17404602
N-(6-acetyl-1,3-benzodioxol-5-yl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 33076586
(E)-N-[3-chloro-2-(dimethylamino)phenyl]-3-(4-methoxyphenyl)prop-2-enamide
CID 46485503
6-methoxy-2-methyl-N-[3-(trifluoromethoxy)phenyl]quinoline-3-carboxamide
CID 38033463
N-[3-chloro-2-(dimethylamino)phenyl]-3,5-dimethoxy-4-methylbenzamide
CID 51117262
N-(4-methoxyphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 34742642
N-[5-chloro-2-(1,2,4-triazol-1-yl)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide
CID 33078369
N-[3-chloro-2-(dimethylamino)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 46485516
N-(3-acetamido-4-fluorophenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 46632736
N-[3-chloro-2-(dimethylamino)phenyl]-2-fluoro-5-methylbenzamide
CID 60615646
N-(4-ethylsulfonylphenyl)-6-methoxy-2-methylquinoline-3-carboxamide
CID 39862992
N-(2-chloro-6-methylphenyl)-2,6-dimethylquinoline-3-carboxamide
CID 96566964

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide?
The IUPAC name of N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide (CID 46485527) is N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide.
What is the SMILES notation for N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide?
The canonical SMILES for N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide is COc1ccc2nc(C)c(C(=O)Nc3cccc(Cl)c3N(C)C)cc2c1.
What is the InChIKey of N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide?
The InChIKey is YEQDWFKMRIVBHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O2/c1-12-15(11-13-10-14(26-4)8-9-17(13)22-12)20(25)23-18-7-5-6-16(21)19(18)24(2)3/h5-11H,1-4H3,(H,23,25).
What are the key properties of N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide?
N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide has a molecular weight of 369.85 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-2-(dimethylamino)phenyl]-6-methoxy-2-methylquinoline-3-carboxamide is sourced from PubChem (CID 46485527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).