methyl 4-amino-8-propoxyquinoline-3-carboxylate

C14H16N2O3 — CID 102614773

IUPACmethyl 4-amino-8-propoxyquinoline-3-carboxylate
SMILESCCCOc1cccc2c(N)c(C(=O)OC)cnc12
InChIInChI=1S/C14H16N2O3/c1-3-7-19-11-6-4-5-9-12(15)10(14(17)18-2)8-16-13(9)11/h4-6,8H,3,7H2,1-2H3,(H2,15,16)
InChIKeyVIDFFFGMLQOICI-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.39
Rot. Bonds4

About methyl 4-amino-8-propoxyquinoline-3-carboxylate

methyl 4-amino-8-propoxyquinoline-3-carboxylate (PubChem CID 102614773) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 4-amino-8-propoxyquinoline-3-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-8-propoxyquinoline-3-carboxylate
PubChem CID102614773
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 4-amino-8-propoxyquinoline-3-carboxylate
SMILESCCCOc1cccc2c(N)c(C(=O)OC)cnc12
InChIInChI=1S/C14H16N2O3/c1-3-7-19-11-6-4-5-9-12(15)10(14(17)18-2)8-16-13(9)11/h4-6,8H,3,7H2,1-2H3,(H2,15,16)
InChIKeyVIDFFFGMLQOICI-UHFFFAOYSA-N
XLogP2.39
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 4-amino-8-ethoxyquinoline-3-carboxylate
CID 102614789
ethyl 4-amino-8-(trifluoromethoxy)quinoline-3-carboxylate
CID 62188335
methyl 2-amino-3-butoxybenzoate
CID 61039982
methyl 2-fluoro-3-propoxybenzoate
CID 146035428
methyl 4-methoxy-8-propoxyquinoline-2-carboxylate
CID 102941864
methyl 2-formyl-3-propoxybenzoate
CID 170129671
methyl 4-amino-6-fluoro-8-methoxyquinoline-3-carboxylate
CID 102614869
methyl 4-bromo-8-(difluoromethoxy)quinoline-3-carboxylate
CID 102614445
4-amino-8-ethylquinoline-3-carbohydrazide
CID 54772803
methyl 2-amino-3-(2-ethoxyethoxy)benzoate
CID 115546997
methyl 4-chloro-8-ethylquinoline-3-carboxylate
CID 102614374
4-chloro-3-iodo-8-propoxyquinoline
CID 102614030

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-8-propoxyquinoline-3-carboxylate?
The IUPAC name of methyl 4-amino-8-propoxyquinoline-3-carboxylate (CID 102614773) is methyl 4-amino-8-propoxyquinoline-3-carboxylate.
What is the SMILES notation for methyl 4-amino-8-propoxyquinoline-3-carboxylate?
The canonical SMILES for methyl 4-amino-8-propoxyquinoline-3-carboxylate is CCCOc1cccc2c(N)c(C(=O)OC)cnc12.
What is the InChIKey of methyl 4-amino-8-propoxyquinoline-3-carboxylate?
The InChIKey is VIDFFFGMLQOICI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-3-7-19-11-6-4-5-9-12(15)10(14(17)18-2)8-16-13(9)11/h4-6,8H,3,7H2,1-2H3,(H2,15,16).
What are the key properties of methyl 4-amino-8-propoxyquinoline-3-carboxylate?
methyl 4-amino-8-propoxyquinoline-3-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.39, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-8-propoxyquinoline-3-carboxylate is sourced from PubChem (CID 102614773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).