2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid

C16H19FN2O2 — CID 110432761

IUPAC2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
SMILESCCC(C)Nc1c(CC(=O)O)c(C)nc2ccc(F)cc12
InChIInChI=1S/C16H19FN2O2/c1-4-9(2)18-16-12(8-15(20)21)10(3)19-14-6-5-11(17)7-13(14)16/h5-7,9H,4,8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyINXTXICDXIWXQA-UHFFFAOYSA-N
MW290.34 g/mol
LogP3.52
Rot. Bonds5

About 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid

2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid (PubChem CID 110432761) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
PubChem CID110432761
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
SMILESCCC(C)Nc1c(CC(=O)O)c(C)nc2ccc(F)cc12
InChIInChI=1S/C16H19FN2O2/c1-4-9(2)18-16-12(8-15(20)21)10(3)19-14-6-5-11(17)7-13(14)16/h5-7,9H,4,8H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyINXTXICDXIWXQA-UHFFFAOYSA-N
XLogP3.52
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
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
methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
CID 110432664
2-[6-fluoro-4-(1H-indazol-6-ylamino)-2-methylquinolin-3-yl]acetic acid
CID 110435547
2-[6-fluoro-2-methyl-4-(4-methylpiperidin-1-yl)quinolin-3-yl]acetic acid
CID 110434146
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434094
(4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol
CID 125453119
6-fluoro-N,2-dimethyl-3-propan-2-ylquinolin-4-amine
CID 62913667
2-[6-bromo-4-(cyclopropylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432865
2-[2-(butan-2-ylamino)-6-fluorophenyl]acetic acid
CID 82287570

Frequently Asked Questions

What is the IUPAC name of 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid?
The IUPAC name of 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid (CID 110432761) is 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid.
What is the SMILES notation for 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid?
The canonical SMILES for 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid is CCC(C)Nc1c(CC(=O)O)c(C)nc2ccc(F)cc12.
What is the InChIKey of 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid?
The InChIKey is INXTXICDXIWXQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c1-4-9(2)18-16-12(8-15(20)21)10(3)19-14-6-5-11(17)7-13(14)16/h5-7,9H,4,8H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid?
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid has a molecular weight of 290.34 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid is sourced from PubChem (CID 110432761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).