methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate

C19H25FN2O2 — CID 110434100

IUPACmethyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate
SMILESCCCCN(CC)c1c(CC(=O)OC)c(C)nc2ccc(F)cc12
InChIInChI=1S/C19H25FN2O2/c1-5-7-10-22(6-2)19-15(12-18(23)24-4)13(3)21-17-9-8-14(20)11-16(17)19/h8-9,11H,5-7,10,12H2,1-4H3
InChIKeySLODZWXSEYCVMP-UHFFFAOYSA-N
MW332.42 g/mol
LogP4.02
Rot. Bonds7

About methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate

methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate (PubChem CID 110434100) has the molecular formula C19H25FN2O2 and a molecular weight of 332.42 g/mol. Its IUPAC name is methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate
PubChem CID110434100
Molecular FormulaC19H25FN2O2
Molecular Weight332.42 g/mol
Exact Mass332.19
IUPAC Namemethyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate
SMILESCCCCN(CC)c1c(CC(=O)OC)c(C)nc2ccc(F)cc12
InChIInChI=1S/C19H25FN2O2/c1-5-7-10-22(6-2)19-15(12-18(23)24-4)13(3)21-17-9-8-14(20)11-16(17)19/h8-9,11H,5-7,10,12H2,1-4H3
InChIKeySLODZWXSEYCVMP-UHFFFAOYSA-N
XLogP4.02
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.42
LogP ≤ 54.02
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
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-(butylamino)-2-methylquinolin-3-yl]acetate
CID 110432495
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 2-[4-[2-(diethylamino)ethylamino]-2-methylquinolin-3-yl]acetate
CID 110432531
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-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate
CID 123456423

Frequently Asked Questions

What is the IUPAC name of methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate?
The IUPAC name of methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate (CID 110434100) is methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate.
What is the SMILES notation for methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate?
The canonical SMILES for methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate is CCCCN(CC)c1c(CC(=O)OC)c(C)nc2ccc(F)cc12.
What is the InChIKey of methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate?
The InChIKey is SLODZWXSEYCVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN2O2/c1-5-7-10-22(6-2)19-15(12-18(23)24-4)13(3)21-17-9-8-14(20)11-16(17)19/h8-9,11H,5-7,10,12H2,1-4H3.
What are the key properties of methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate?
methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate has a molecular weight of 332.42 g/mol, XLogP of 4.02, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate is sourced from PubChem (CID 110434100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).