2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid

C19H17FN2O2 — CID 110435536

IUPAC2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
SMILESCc1ccc(Nc2c(CC(=O)O)c(C)nc3ccc(F)cc23)cc1
InChIInChI=1S/C19H17FN2O2/c1-11-3-6-14(7-4-11)22-19-15(10-18(23)24)12(2)21-17-8-5-13(20)9-16(17)19/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyYAQVIWVAYOOCNJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP4.36
Rot. Bonds4

About 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid

2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid (PubChem CID 110435536) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
PubChem CID110435536
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
SMILESCc1ccc(Nc2c(CC(=O)O)c(C)nc3ccc(F)cc23)cc1
InChIInChI=1S/C19H17FN2O2/c1-11-3-6-14(7-4-11)22-19-15(10-18(23)24)12(2)21-17-8-5-13(20)9-16(17)19/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24)
InChIKeyYAQVIWVAYOOCNJ-UHFFFAOYSA-N
XLogP4.36
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid
CID 110435547
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432762
2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432764
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
2-[4-[4-(dimethylamino)anilino]-2-methylquinolin-3-yl]acetic acid
CID 110435373
methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
CID 110432664
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
2-[2-methyl-4-(4-propoxyanilino)quinolin-3-yl]acetic acid
CID 110435384
2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid
CID 110434146

Frequently Asked Questions

What is the IUPAC name of 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid?
The IUPAC name of 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid (CID 110435536) is 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid?
The canonical SMILES for 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid is Cc1ccc(Nc2c(CC(=O)O)c(C)nc3ccc(F)cc23)cc1.
What is the InChIKey of 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid?
The InChIKey is YAQVIWVAYOOCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c1-11-3-6-14(7-4-11)22-19-15(10-18(23)24)12(2)21-17-8-5-13(20)9-16(17)19/h3-9H,10H2,1-2H3,(H,21,22)(H,23,24).
What are the key properties of 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid?
2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid has a molecular weight of 324.36 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid is sourced from PubChem (CID 110435536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).