2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide

C22H21ClN2O3 — CID 123881542

IUPAC2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide
SMILESCc1cc2cccnc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)N=O
InChIInChI=1S/C22H21ClN2O3/c1-13-12-15-6-5-11-24-19(15)18(14-7-9-16(23)10-8-14)17(13)20(21(26)25-27)28-22(2,3)4/h5-12,20H,1-4H3
InChIKeyXNONISXYMOBBTE-UHFFFAOYSA-N
MW396.87 g/mol
LogP6.01
Rot. Bonds4

About 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide

2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide (PubChem CID 123881542) has the molecular formula C22H21ClN2O3 and a molecular weight of 396.87 g/mol. Its IUPAC name is 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide.

Molecular Properties

Compound Name2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide
PubChem CID123881542
Molecular FormulaC22H21ClN2O3
Molecular Weight396.87 g/mol
Exact Mass396.12
IUPAC Name2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide
SMILESCc1cc2cccnc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)N=O
InChIInChI=1S/C22H21ClN2O3/c1-13-12-15-6-5-11-24-19(15)18(14-7-9-16(23)10-8-14)17(13)20(21(26)25-27)28-22(2,3)4/h5-12,20H,1-4H3
InChIKeyXNONISXYMOBBTE-UHFFFAOYSA-N
XLogP6.01
TPSA68.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.87
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 66631441
(1S)-1-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]ethane-1,2-diol
CID 68585959
8-(4-chlorophenyl)-6-methylquinoline-7-carboxylic acid
CID 150999301
ethyl (2S)-2-[7-(4-chlorophenyl)-5-methyl-2-[2-(8-oxo-1,7-naphthyridin-7-yl)-4-pyridinyl]-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 86700172
2-[5-(4-chlorophenyl)-2-formyl-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 87083554
(2S)-2-[5-(4-chlorophenyl)-2-ethoxycarbonyl-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 56644639
2-[5-(4-chlorophenyl)-2-(methanesulfonamido)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 123663695
2-[5-(4-chlorophenyl)-2-(hydroxymethyl)-7-methylquinolin-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 66631533
2-[1-(4-chlorophenyl)-3-methyl-6-(trifluoromethylsulfonyloxy)naphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid
CID 87279263
lithium;(2S)-2-[1-(4-chlorophenyl)-3-methyl-6-pyridin-2-ylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetic acid;ethyl (2S)-2-[1-(4-chlorophenyl)-3,6-dimethylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;ethyl (2S)-2-[1-(4-chlorophenyl)-3-methyl-6-pyridin-2-ylnaphthalen-2-yl]-2-[(2-methylpropan-2-yl)oxy]acetate;methane;hydroxide
CID 159880147
methyl (2S)-2-[2-amino-7-(4-chlorophenyl)-5-methyl-1,3-benzothiazol-6-yl]-2-[(2-methylpropan-2-yl)oxy]acetate
CID 86699793
(2S)-2-[(2-methylpropan-2-yl)oxy]-2-(3-methyl-1-quinolin-3-ylnaphthalen-2-yl)acetic acid
CID 56601913

Frequently Asked Questions

What is the IUPAC name of 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide?
The IUPAC name of 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide (CID 123881542) is 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide.
What is the SMILES notation for 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide?
The canonical SMILES for 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide is Cc1cc2cccnc2c(-c2ccc(Cl)cc2)c1C(OC(C)(C)C)C(=O)N=O.
What is the InChIKey of 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide?
The InChIKey is XNONISXYMOBBTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClN2O3/c1-13-12-15-6-5-11-24-19(15)18(14-7-9-16(23)10-8-14)17(13)20(21(26)25-27)28-22(2,3)4/h5-12,20H,1-4H3.
What are the key properties of 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide?
2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide has a molecular weight of 396.87 g/mol, XLogP of 6.01, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-(4-chlorophenyl)-6-methylquinolin-7-yl]-2-[(2-methylpropan-2-yl)oxy]-N-oxoacetamide is sourced from PubChem (CID 123881542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).