methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate

C19H16F2N2O2 — CID 110435345

IUPACmethyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1Nc1c(F)cccc1F
InChIInChI=1S/C19H16F2N2O2/c1-11-13(10-17(24)25-2)18(12-6-3-4-9-16(12)22-11)23-19-14(20)7-5-8-15(19)21/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyVVUVNCRBEXLWFM-UHFFFAOYSA-N
MW342.35 g/mol
LogP4.28
Rot. Bonds4

About methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate

methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate (PubChem CID 110435345) has the molecular formula C19H16F2N2O2 and a molecular weight of 342.35 g/mol. Its IUPAC name is methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
PubChem CID110435345
Molecular FormulaC19H16F2N2O2
Molecular Weight342.35 g/mol
Exact Mass342.12
IUPAC Namemethyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1Nc1c(F)cccc1F
InChIInChI=1S/C19H16F2N2O2/c1-11-13(10-17(24)25-2)18(12-6-3-4-9-16(12)22-11)23-19-14(20)7-5-8-15(19)21/h3-9H,10H2,1-2H3,(H,22,23)
InChIKeyVVUVNCRBEXLWFM-UHFFFAOYSA-N
XLogP4.28
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509
methyl 2-[4-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
methyl 2-[2-methyl-4-[(1-phenylcyclopropyl)amino]quinolin-3-yl]acetate
CID 110433162
methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
CID 110432531
methyl 2-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349
methyl 2-[4-methyl-2-(trifluoromethyl)quinolin-3-yl]acetate
CID 97033673

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate (CID 110435345) is methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccccc2c1Nc1c(F)cccc1F.
What is the InChIKey of methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate?
The InChIKey is VVUVNCRBEXLWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N2O2/c1-11-13(10-17(24)25-2)18(12-6-3-4-9-16(12)22-11)23-19-14(20)7-5-8-15(19)21/h3-9H,10H2,1-2H3,(H,22,23).
What are the key properties of methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate?
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate has a molecular weight of 342.35 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 110435345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).