methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate

C20H25FN2O2 — CID 110434107

IUPACmethyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
SMILESCCC1CCCCN1c1c(CC(=O)OC)c(C)nc2ccc(F)cc12
InChIInChI=1S/C20H25FN2O2/c1-4-15-7-5-6-10-23(15)20-16(12-19(24)25-3)13(2)22-18-9-8-14(21)11-17(18)20/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyXVWNQXJNHOQRFS-UHFFFAOYSA-N
MW344.43 g/mol
LogP4.17
Rot. Bonds4

About methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate

methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate (PubChem CID 110434107) has the molecular formula C20H25FN2O2 and a molecular weight of 344.43 g/mol. Its IUPAC name is methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
PubChem CID110434107
Molecular FormulaC20H25FN2O2
Molecular Weight344.43 g/mol
Exact Mass344.19
IUPAC Namemethyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
SMILESCCC1CCCCN1c1c(CC(=O)OC)c(C)nc2ccc(F)cc12
InChIInChI=1S/C20H25FN2O2/c1-4-15-7-5-6-10-23(15)20-16(12-19(24)25-3)13(2)22-18-9-8-14(21)11-17(18)20/h8-9,11,15H,4-7,10,12H2,1-3H3
InChIKeyXVWNQXJNHOQRFS-UHFFFAOYSA-N
XLogP4.17
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434094
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-(2-methyl-4-pyrrolidin-1-ylquinolin-3-yl)acetate
CID 110433990
2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432762
2-(2-ethylpiperidin-1-yl)-5-fluorobenzoic acid
CID 43313045
methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434100
4-(2-ethylpiperidin-1-yl)-6-fluoroquinazoline
CID 110433468
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
6-(2-ethylpiperidin-1-yl)-N-[(4-fluorophenyl)methyl]-2-methylpyrimidine-4-carboxamide
CID 109369876
(2,3-dimethylquinoxalin-6-yl)-[(2R)-2-ethylpiperidin-1-yl]methanone
CID 51711835
2-(2-ethylpiperidin-1-yl)quinoline-4-carboxylic acid
CID 43266682

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate (CID 110434107) is methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate is CCC1CCCCN1c1c(CC(=O)OC)c(C)nc2ccc(F)cc12.
What is the InChIKey of methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate?
The InChIKey is XVWNQXJNHOQRFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O2/c1-4-15-7-5-6-10-23(15)20-16(12-19(24)25-3)13(2)22-18-9-8-14(21)11-17(18)20/h8-9,11,15H,4-7,10,12H2,1-3H3.
What are the key properties of methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate?
methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate has a molecular weight of 344.43 g/mol, XLogP of 4.17, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 110434107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).