methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate

C19H15BrClNO2 — CID 100654815

IUPACmethyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccc(Br)cc2c1-c1cccc(Cl)c1
InChIInChI=1S/C19H15BrClNO2/c1-11-15(10-18(23)24-2)19(12-4-3-5-14(21)8-12)16-9-13(20)6-7-17(16)22-11/h3-9H,10H2,1-2H3
InChIKeyUWKMMIYSMDTMPX-UHFFFAOYSA-N
MW404.69 g/mol
LogP5.34
Rot. Bonds3

About methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate

methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate (PubChem CID 100654815) has the molecular formula C19H15BrClNO2 and a molecular weight of 404.69 g/mol. Its IUPAC name is methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate
PubChem CID100654815
Molecular FormulaC19H15BrClNO2
Molecular Weight404.69 g/mol
Exact Mass403.00
IUPAC Namemethyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccc(Br)cc2c1-c1cccc(Cl)c1
InChIInChI=1S/C19H15BrClNO2/c1-11-15(10-18(23)24-2)19(12-4-3-5-14(21)8-12)16-9-13(20)6-7-17(16)22-11/h3-9H,10H2,1-2H3
InChIKeyUWKMMIYSMDTMPX-UHFFFAOYSA-N
XLogP5.34
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.69
LogP ≤ 55.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
6-bromo-2,4-dichloro-3-(3-chlorophenyl)quinoline
CID 90101624
6-bromo-2-(3-chlorophenyl)quinoline-4-carboxylic acid
CID 3972728
methyl 2-[5-bromo-2-(3-chlorophenyl)-1,3-thiazol-4-yl]acetate
CID 148550488
methylamino 2-(2-methyl-4-phenylquinolin-3-yl)acetate
CID 146289922
2-(6-chloro-2-methyl-4-phenylquinolin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
CID 2545400
methyl 2-(2-bromoquinolin-4-yl)acetate
CID 90316081
2-[6-bromo-2-(3-chlorophenyl)-4-oxoquinazolin-3-yl]-2-hydroxy-N-propan-2-ylacetamide
CID 118917450
1-(6-bromo-2-ethyl-4-phenylquinolin-3-yl)propan-2-one
CID 69343307
ethyl 6-chloro-2-methyl-4-phenylquinoline-3-carboxylate
CID 629761
6-chloro-2-methyl-4-phenyl-3-propylquinoline
CID 2439854
2,4-bis[4-(3-chlorophenyl)-2-methyl-6-(trifluoromethoxy)quinolin-3-yl]pentan-3-one
CID 150638011

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate (CID 100654815) is methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccc(Br)cc2c1-c1cccc(Cl)c1.
What is the InChIKey of methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate?
The InChIKey is UWKMMIYSMDTMPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrClNO2/c1-11-15(10-18(23)24-2)19(12-4-3-5-14(21)8-12)16-9-13(20)6-7-17(16)22-11/h3-9H,10H2,1-2H3.
What are the key properties of methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate?
methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate has a molecular weight of 404.69 g/mol, XLogP of 5.34, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-bromo-4-(3-chlorophenyl)-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 100654815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).