2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide

C21H21BrN2O2 — CID 170555848

IUPAC2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide
SMILESCOc1cc(-c2ccc3nc(C)cc(Br)c3c2)ccc1CC(=O)N(C)C
InChIInChI=1S/C21H21BrN2O2/c1-13-9-18(22)17-10-14(7-8-19(17)23-13)15-5-6-16(20(11-15)26-4)12-21(25)24(2)3/h5-11H,12H2,1-4H3
InChIKeyPCAKRRIUVSWAQO-UHFFFAOYSA-N
MW413.32 g/mol
LogP4.61
Rot. Bonds4

About 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide

2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide (PubChem CID 170555848) has the molecular formula C21H21BrN2O2 and a molecular weight of 413.32 g/mol. Its IUPAC name is 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide.

Molecular Properties

Compound Name2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide
PubChem CID170555848
Molecular FormulaC21H21BrN2O2
Molecular Weight413.32 g/mol
Exact Mass412.08
IUPAC Name2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide
SMILESCOc1cc(-c2ccc3nc(C)cc(Br)c3c2)ccc1CC(=O)N(C)C
InChIInChI=1S/C21H21BrN2O2/c1-13-9-18(22)17-10-14(7-8-19(17)23-13)15-5-6-16(20(11-15)26-4)12-21(25)24(2)3/h5-11H,12H2,1-4H3
InChIKeyPCAKRRIUVSWAQO-UHFFFAOYSA-N
XLogP4.61
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.32
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-(2,4-dichloroquinazolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide
CID 168867456
2-(2-methoxy-4-phenylphenyl)acetic acid
CID 23503476
ethyl 4-methoxy-2-methylquinoline-6-carboxylate
CID 23877743
6-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methylquinoline-4-carboxamide
CID 46291486
2-(3-methoxy-2-methylphenyl)-N,N-dimethylacetamide
CID 121016369
2-(3-methoxy-4-methylphenyl)-N,N-dimethylacetamide
CID 60701058
ethyl 2-[2-methoxy-4-(1-methylpyrazol-4-yl)phenyl]acetate
CID 139561792
2-[2-(5-hydroxy-2-methoxyphenyl)-4-methylquinolin-6-yl]-N,N-dimethylacetamide
CID 169412688
N-(4-methoxy-2-methylquinolin-6-yl)-2-[2-[(4-methoxy-2-methylquinolin-6-yl)amino]-2-oxoethoxy]acetamide
CID 44533592
2-[5-[4-[[(1R)-1-[3-(1,1-difluoroethyl)-2-fluorophenyl]ethyl]amino]-2-methylquinazolin-6-yl]-2-methoxyphenyl]-N,N-dimethylacetamide;formic acid
CID 175905753
2-[5-[[4-[[(1R)-1-[6-(difluoromethyl)-2-pyridinyl]ethyl]amino]-2-methylquinazolin-6-yl]-methylamino]-2-methoxyphenyl]-N,N-dimethylacetamide
CID 166541126
2-[4-(3-bromo-4-methoxyphenyl)pyrimidin-2-yl]acetic acid
CID 116899794

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide?
The IUPAC name of 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide (CID 170555848) is 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide.
What is the SMILES notation for 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide?
The canonical SMILES for 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide is COc1cc(-c2ccc3nc(C)cc(Br)c3c2)ccc1CC(=O)N(C)C.
What is the InChIKey of 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide?
The InChIKey is PCAKRRIUVSWAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21BrN2O2/c1-13-9-18(22)17-10-14(7-8-19(17)23-13)15-5-6-16(20(11-15)26-4)12-21(25)24(2)3/h5-11H,12H2,1-4H3.
What are the key properties of 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide?
2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide has a molecular weight of 413.32 g/mol, XLogP of 4.61, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-bromo-2-methylquinolin-6-yl)-2-methoxyphenyl]-N,N-dimethylacetamide is sourced from PubChem (CID 170555848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).