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

C17H21FN2O2 — CID 110434094

IUPACmethyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate
SMILESCCN(CC)c1c(CC(=O)OC)c(C)nc2ccc(F)cc12
InChIInChI=1S/C17H21FN2O2/c1-5-20(6-2)17-13(10-16(21)22-4)11(3)19-15-8-7-12(18)9-14(15)17/h7-9H,5-6,10H2,1-4H3
InChIKeyBJDJHLKBKVFUJH-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.24
Rot. Bonds5

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

methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate (PubChem CID 110434094) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate
PubChem CID110434094
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Namemethyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate
SMILESCCN(CC)c1c(CC(=O)OC)c(C)nc2ccc(F)cc12
InChIInChI=1S/C17H21FN2O2/c1-5-20(6-2)17-13(10-16(21)22-4)11(3)19-15-8-7-12(18)9-14(15)17/h7-9H,5-6,10H2,1-4H3
InChIKeyBJDJHLKBKVFUJH-UHFFFAOYSA-N
XLogP3.24
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434100
methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
CID 110432664
methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434107
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432764
methyl 3-(6-fluoro-2-methylquinolin-4-yl)-3-oxopropanoate
CID 82666021
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
(4-ethyl-6-fluoro-2-methylquinolin-3-yl)methanol
CID 125453119
methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
CID 110432531
2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate (CID 110434094) is methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate is CCN(CC)c1c(CC(=O)OC)c(C)nc2ccc(F)cc12.
What is the InChIKey of methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate?
The InChIKey is BJDJHLKBKVFUJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-5-20(6-2)17-13(10-16(21)22-4)11(3)19-15-8-7-12(18)9-14(15)17/h7-9H,5-6,10H2,1-4H3.
What are the key properties of methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate?
methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate has a molecular weight of 304.37 g/mol, XLogP of 3.24, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 110434094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).