2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid

C14H15FN2O2 — CID 82575012

IUPAC2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid
SMILESCc1cc(N(C)C)c2cc(CC(=O)O)cc(F)c2n1
InChIInChI=1S/C14H15FN2O2/c1-8-4-12(17(2)3)10-5-9(7-13(18)19)6-11(15)14(10)16-8/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyGBKFEDDOCKVYDP-UHFFFAOYSA-N
MW262.28 g/mol
LogP2.38
Rot. Bonds3

About 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid

2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid (PubChem CID 82575012) has the molecular formula C14H15FN2O2 and a molecular weight of 262.28 g/mol. Its IUPAC name is 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid.

Molecular Properties

Compound Name2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid
PubChem CID82575012
Molecular FormulaC14H15FN2O2
Molecular Weight262.28 g/mol
Exact Mass262.11
IUPAC Name2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid
SMILESCc1cc(N(C)C)c2cc(CC(=O)O)cc(F)c2n1
InChIInChI=1S/C14H15FN2O2/c1-8-4-12(17(2)3)10-5-9(7-13(18)19)6-11(15)14(10)16-8/h4-6H,7H2,1-3H3,(H,18,19)
InChIKeyGBKFEDDOCKVYDP-UHFFFAOYSA-N
XLogP2.38
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.28
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid?
The IUPAC name of 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid (CID 82575012) is 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid.
What is the SMILES notation for 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid?
The canonical SMILES for 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid is Cc1cc(N(C)C)c2cc(CC(=O)O)cc(F)c2n1.
What is the InChIKey of 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid?
The InChIKey is GBKFEDDOCKVYDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2/c1-8-4-12(17(2)3)10-5-9(7-13(18)19)6-11(15)14(10)16-8/h4-6H,7H2,1-3H3,(H,18,19).
What are the key properties of 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid?
2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid has a molecular weight of 262.28 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(dimethylamino)-8-fluoro-2-methylquinolin-6-yl]acetic acid is sourced from PubChem (CID 82575012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).