methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate

C17H21FN2O2 — CID 110432664

IUPACmethyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccc(F)cc2c1NCC(C)C
InChIInChI=1S/C17H21FN2O2/c1-10(2)9-19-17-13(8-16(21)22-4)11(3)20-15-6-5-12(18)7-14(15)17/h5-7,10H,8-9H2,1-4H3,(H,19,20)
InChIKeyBTFHOQFDXGIVIT-UHFFFAOYSA-N
MW304.37 g/mol
LogP3.47
Rot. Bonds5

About methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate

methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate (PubChem CID 110432664) has the molecular formula C17H21FN2O2 and a molecular weight of 304.37 g/mol. Its IUPAC name is methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
PubChem CID110432664
Molecular FormulaC17H21FN2O2
Molecular Weight304.37 g/mol
Exact Mass304.16
IUPAC Namemethyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate
SMILESCOC(=O)Cc1c(C)nc2ccc(F)cc2c1NCC(C)C
InChIInChI=1S/C17H21FN2O2/c1-10(2)9-19-17-13(8-16(21)22-4)11(3)20-15-6-5-12(18)7-14(15)17/h5-7,10H,8-9H2,1-4H3,(H,19,20)
InChIKeyBTFHOQFDXGIVIT-UHFFFAOYSA-N
XLogP3.47
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-[6-fluoro-4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435459
2-[6-fluoro-4-(2-methoxyethylamino)-2-methylquinolin-3-yl]acetic acid
CID 110432764
methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434094
2-[4-(butan-2-ylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432761
methyl 2-[4-(3-fluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435333
methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434100
2-[6-fluoro-2-methyl-4-(4-methylanilino)quinolin-3-yl]acetic acid
CID 110435536
methyl 2-[4-(2-ethylpiperidin-1-yl)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434107
2-[4-(cyclopentylamino)-6-fluoro-2-methylquinolin-3-yl]acetic acid
CID 110432762
methyl 2-[4-(2,6-difluoroanilino)-2-methylquinolin-3-yl]acetate
CID 110435345
methyl 2-[2-methyl-4-(1-phenylethylamino)quinolin-3-yl]acetate
CID 110432509
methyl 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
CID 110432531

Frequently Asked Questions

What is the IUPAC name of methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate?
The IUPAC name of methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate (CID 110432664) is methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate is COC(=O)Cc1c(C)nc2ccc(F)cc2c1NCC(C)C.
What is the InChIKey of methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate?
The InChIKey is BTFHOQFDXGIVIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN2O2/c1-10(2)9-19-17-13(8-16(21)22-4)11(3)20-15-6-5-12(18)7-14(15)17/h5-7,10H,8-9H2,1-4H3,(H,19,20).
What are the key properties of methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate?
methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate has a molecular weight of 304.37 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[6-fluoro-2-methyl-4-(2-methylpropylamino)quinolin-3-yl]acetate is sourced from PubChem (CID 110432664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).