methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate

C19H17FN2O2 — CID 110435333

IUPACmethyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1Nc1cccc(F)c1
InChIInChI=1S/C19H17FN2O2/c1-12-16(11-18(23)24-2)19(15-8-3-4-9-17(15)21-12)22-14-7-5-6-13(20)10-14/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyAMLRIONINBYBRD-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.14
Rot. Bonds4

About methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate

methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate (PubChem CID 110435333) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
PubChem CID110435333
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Namemethyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccccc2c1Nc1cccc(F)c1
InChIInChI=1S/C19H17FN2O2/c1-12-16(11-18(23)24-2)19(15-8-3-4-9-17(15)21-12)22-14-7-5-6-13(20)10-14/h3-10H,11H2,1-2H3,(H,21,22)
InChIKeyAMLRIONINBYBRD-UHFFFAOYSA-N
XLogP4.14
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
methyl 2-[4-(3-chloroanilino)-2-methylquinolin-3-yl]acetate
CID 110435321
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
methyl 2-[4-(4-methoxyanilino)-2-methylquinolin-3-yl]acetate
CID 110435325
2-[2-methyl-4-(3-methylanilino)quinolin-3-yl]acetic acid
CID 110435349
2-[2-methyl-4-(naphthalen-2-ylamino)quinolin-3-yl]acetic acid
CID 110435391
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-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
CID 110432664
methyl 2-[2-methyl-4-[(4-methylpiperazin-1-yl)amino]quinolin-3-yl]acetate
CID 110435937
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

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate (CID 110435333) is methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccccc2c1Nc1cccc(F)c1.
What is the InChIKey of methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate?
The InChIKey is AMLRIONINBYBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-12-16(11-18(23)24-2)19(15-8-3-4-9-17(15)21-12)22-14-7-5-6-13(20)10-14/h3-10H,11H2,1-2H3,(H,21,22).
What are the key properties of methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate?
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate has a molecular weight of 324.36 g/mol, XLogP of 4.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 110435333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).