methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate

C17H20F2N2O2 — CID 123456423

IUPACmethyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate
SMILESCCCN(CC)c1cnc2cc(F)c(CC(=O)OC)c(F)c2c1
InChIInChI=1S/C17H20F2N2O2/c1-4-6-21(5-2)11-7-13-15(20-10-11)9-14(18)12(17(13)19)8-16(22)23-3/h7,9-10H,4-6,8H2,1-3H3
InChIKeyGNZWCNBPFJVLBY-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.46
Rot. Bonds6

About methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate

methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate (PubChem CID 123456423) has the molecular formula C17H20F2N2O2 and a molecular weight of 322.36 g/mol. Its IUPAC name is methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate.

Molecular Properties

Compound Namemethyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate
PubChem CID123456423
Molecular FormulaC17H20F2N2O2
Molecular Weight322.36 g/mol
Exact Mass322.15
IUPAC Namemethyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate
SMILESCCCN(CC)c1cnc2cc(F)c(CC(=O)OC)c(F)c2c1
InChIInChI=1S/C17H20F2N2O2/c1-4-6-21(5-2)11-7-13-15(20-10-11)9-14(18)12(17(13)19)8-16(22)23-3/h7,9-10H,4-6,8H2,1-3H3
InChIKeyGNZWCNBPFJVLBY-UHFFFAOYSA-N
XLogP3.46
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(2,4,6-trifluorophenyl)acetate
CID 66608247
methyl 2-[4-[butyl(ethyl)amino]-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434100
methyl 2-[4-(diethylamino)-6-fluoro-2-methylquinolin-3-yl]acetate
CID 110434094
methyl 2-(2-bromo-4,6-difluorophenyl)acetate
CID 130729909
methyl 2-[(5-fluoro-6-methylpyrimidin-4-yl)-propylamino]acetate
CID 103081962
methyl 2-[3,5-dimethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]acetate
CID 79204308
methyl 2-(3-fluoro-5-iodo-2-pyridinyl)acetate
CID 130926015
methyl 2-(4-cyano-5-fluoro-2-pyridinyl)acetate
CID 130982428
methyl 4-[ethyl-(3-methoxy-3-oxopropyl)amino]pyridine-2-carboxylate
CID 66285535
methyl 2-(6-bromo-4-fluoro-3-pyridinyl)acetate
CID 130776518
methyl 2-(3-bromo-2,5,6-trifluorophenyl)acetate
CID 131522838
1-[5-[ethyl(propyl)amino]-2-pyridinyl]propan-1-one
CID 112583508

Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate?
The IUPAC name of methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate (CID 123456423) is methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate.
What is the SMILES notation for methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate?
The canonical SMILES for methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate is CCCN(CC)c1cnc2cc(F)c(CC(=O)OC)c(F)c2c1.
What is the InChIKey of methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate?
The InChIKey is GNZWCNBPFJVLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N2O2/c1-4-6-21(5-2)11-7-13-15(20-10-11)9-14(18)12(17(13)19)8-16(22)23-3/h7,9-10H,4-6,8H2,1-3H3.
What are the key properties of methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate?
methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate has a molecular weight of 322.36 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-[ethyl(propyl)amino]-5,7-difluoroquinolin-6-yl]acetate is sourced from PubChem (CID 123456423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).