methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate

C14H15NO4 — CID 101473216

IUPACmethyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate
SMILESCOC(=O)CC1Nc2ccccc2C=C1C(=O)OC
InChIInChI=1S/C14H15NO4/c1-18-13(16)8-12-10(14(17)19-2)7-9-5-3-4-6-11(9)15-12/h3-7,12,15H,8H2,1-2H3
InChIKeyQCXSRCLQOSJEOD-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.60
Rot. Bonds3

About methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate

methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate (PubChem CID 101473216) has the molecular formula C14H15NO4 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate
PubChem CID101473216
Molecular FormulaC14H15NO4
Molecular Weight261.28 g/mol
Exact Mass261.10
IUPAC Namemethyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate
SMILESCOC(=O)CC1Nc2ccccc2C=C1C(=O)OC
InChIInChI=1S/C14H15NO4/c1-18-13(16)8-12-10(14(17)19-2)7-9-5-3-4-6-11(9)15-12/h3-7,12,15H,8H2,1-2H3
InChIKeyQCXSRCLQOSJEOD-UHFFFAOYSA-N
XLogP1.60
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 2-[anilino(phenyl)methyl]prop-2-enoate
CID 11780497
Dihydrofuro[3,4-b]quinolin-1-one
CID 18549662
Ethyl 6-iodo-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylate
CID 21883508
Ethyl 6-trifluoromethyl-1,2-dihydro-2-(trifluoromethyl)-3-quinolinecarboxylate
CID 21883618
methyl (3S)-3-[2-(trifluoromethyl)anilino]pentanoate
CID 57888589
methyl (3R)-3-[2-(trifluoromethyl)anilino]pentanoate
CID 59188235
methyl (E)-3-[2-(ethylamino)-4-fluorophenyl]prop-2-enoate
CID 66855505
3-(4-Fluoro-2-ethylamino-phenyl)-acrylic acid methyl ester
CID 66855506
Methyl 3-[2-(trifluoromethyl)anilino]pentanoate
CID 68572651
chloro (2S)-2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
CID 69338529
Propan-2-yl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
CID 139911319
Ethyl 2-(trifluoromethyl)-1,2-dihydroquinoline-3-carboxylate
CID 139911320

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate?
The IUPAC name of methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate (CID 101473216) is methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate.
What is the SMILES notation for methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate?
The canonical SMILES for methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate is COC(=O)CC1Nc2ccccc2C=C1C(=O)OC.
What is the InChIKey of methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate?
The InChIKey is QCXSRCLQOSJEOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO4/c1-18-13(16)8-12-10(14(17)19-2)7-9-5-3-4-6-11(9)15-12/h3-7,12,15H,8H2,1-2H3.
What are the key properties of methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate?
methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2-methoxy-2-oxoethyl)-1,2-dihydroquinoline-3-carboxylate is sourced from PubChem (CID 101473216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).