6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

C20H19BrN2O3 — CID 46291486

IUPAC6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C20H19BrN2O3/c1-12-8-17(16-9-14(21)5-7-18(16)23-12)20(24)22-11-13-4-6-15(25-2)10-19(13)26-3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyUVOUAAKIGBCNCJ-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.25
Rot. Bonds5

About 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide

6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (PubChem CID 46291486) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.

Molecular Properties

Compound Name6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
PubChem CID46291486
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cc(C)nc3ccc(Br)cc23)c(OC)c1
InChIInChI=1S/C20H19BrN2O3/c1-12-8-17(16-9-14(21)5-7-18(16)23-12)20(24)22-11-13-4-6-15(25-2)10-19(13)26-3/h4-10H,11H2,1-3H3,(H,22,24)
InChIKeyUVOUAAKIGBCNCJ-UHFFFAOYSA-N
XLogP4.25
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-N-[(2-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291475
6-bromo-N-(2-methoxyethyl)-2-methylquinoline-4-carboxamide
CID 46291474
N-[(4-methoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 7959679
7-bromo-N-[(2,4-dimethoxyphenyl)methyl]-3-methylpyrrolo[1,2-c]pyrimidine-5-carboxamide
CID 170354818
N-[(2,4-dimethoxyphenyl)methyl]-2-iodo-3-methylbenzamide
CID 46453624
N-[(2,4-dimethoxyphenyl)methyl]-2-thiophen-2-ylquinoline-4-carboxamide
CID 15988959
4-amino-N-[(2,4-dimethoxyphenyl)methyl]pyridine-3-carboxamide
CID 81235643
(2,4-dimethoxyphenyl)methylurea
CID 53362457
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylpyrazole-3-carboxamide
CID 87024506
6-bromo-2-(2,4-dimethoxyphenyl)quinoline-4-carbonyl chloride
CID 46779265
6-methoxy-2-methyl-N-[(E)-3-methylsulfonylprop-2-enyl]quinoline-4-carboxamide
CID 139018664
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]quinazolin-4-amine
CID 67085882

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The IUPAC name of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide (CID 46291486) is 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide.
What is the SMILES notation for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The canonical SMILES for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is COc1ccc(CNC(=O)c2cc(C)nc3ccc(Br)cc23)c(OC)c1.
What is the InChIKey of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
The InChIKey is UVOUAAKIGBCNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-12-8-17(16-9-14(21)5-7-18(16)23-12)20(24)22-11-13-4-6-15(25-2)10-19(13)26-3/h4-10H,11H2,1-3H3,(H,22,24).
What are the key properties of 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide?
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide has a molecular weight of 415.29 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide is sourced from PubChem (CID 46291486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).