methyl 8-(2-methoxyethyl)quinoline-4-carboxylate

C14H15NO3 — CID 102941832

IUPACmethyl 8-(2-methoxyethyl)quinoline-4-carboxylate
SMILESCOCCc1cccc2c(C(=O)OC)ccnc12
InChIInChI=1S/C14H15NO3/c1-17-9-7-10-4-3-5-11-12(14(16)18-2)6-8-15-13(10)11/h3-6,8H,7,9H2,1-2H3
InChIKeyNNCGUYSAIWUXJC-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.21
Rot. Bonds4

About methyl 8-(2-methoxyethyl)quinoline-4-carboxylate

methyl 8-(2-methoxyethyl)quinoline-4-carboxylate (PubChem CID 102941832) has the molecular formula C14H15NO3 and a molecular weight of 245.28 g/mol. Its IUPAC name is methyl 8-(2-methoxyethyl)quinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 8-(2-methoxyethyl)quinoline-4-carboxylate
PubChem CID102941832
Molecular FormulaC14H15NO3
Molecular Weight245.28 g/mol
Exact Mass245.11
IUPAC Namemethyl 8-(2-methoxyethyl)quinoline-4-carboxylate
SMILESCOCCc1cccc2c(C(=O)OC)ccnc12
InChIInChI=1S/C14H15NO3/c1-17-9-7-10-4-3-5-11-12(14(16)18-2)6-8-15-13(10)11/h3-6,8H,7,9H2,1-2H3
InChIKeyNNCGUYSAIWUXJC-UHFFFAOYSA-N
XLogP2.21
TPSA48.42 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 8-ethylquinoline-4-carboxylate
CID 102941710
8-(2-methoxyethyl)quinolin-4-amine
CID 102908049
methyl 1,10-phenanthroline-4-carboxylate
CID 20679670
methyl 8-methylsulfanylquinoline-5-carboxylate
CID 14874964
methyl 2,3-bis(2-methoxyethoxy)benzoate
CID 66888836
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
methyl 2-ethoxy-3-(hydroxymethyl)benzoate
CID 118269212
2-naphthalen-1-ylethyl quinoline-4-carboxylate
CID 127257422
methyl benzo[f]quinoline-7-carboxylate
CID 141374435
2-methoxy-N-(quinolin-8-ylmethyl)acetamide
CID 47468683
8-[2-[[6-(6-methoxy-3-pyridinyl)pyrimidin-4-yl]amino]ethyl]-N-methylquinoline-4-carboxamide
CID 134288939
methyl naphthalene-1-carboxylate;dihydrochloride
CID 141115110

Frequently Asked Questions

What is the IUPAC name of methyl 8-(2-methoxyethyl)quinoline-4-carboxylate?
The IUPAC name of methyl 8-(2-methoxyethyl)quinoline-4-carboxylate (CID 102941832) is methyl 8-(2-methoxyethyl)quinoline-4-carboxylate.
What is the SMILES notation for methyl 8-(2-methoxyethyl)quinoline-4-carboxylate?
The canonical SMILES for methyl 8-(2-methoxyethyl)quinoline-4-carboxylate is COCCc1cccc2c(C(=O)OC)ccnc12.
What is the InChIKey of methyl 8-(2-methoxyethyl)quinoline-4-carboxylate?
The InChIKey is NNCGUYSAIWUXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO3/c1-17-9-7-10-4-3-5-11-12(14(16)18-2)6-8-15-13(10)11/h3-6,8H,7,9H2,1-2H3.
What are the key properties of methyl 8-(2-methoxyethyl)quinoline-4-carboxylate?
methyl 8-(2-methoxyethyl)quinoline-4-carboxylate has a molecular weight of 245.28 g/mol, XLogP of 2.21, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 8-(2-methoxyethyl)quinoline-4-carboxylate is sourced from PubChem (CID 102941832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).