methyl 6-propylquinoline-4-carboxylate

C14H15NO2 — CID 102941688

IUPACmethyl 6-propylquinoline-4-carboxylate
SMILESCCCc1ccc2nccc(C(=O)OC)c2c1
InChIInChI=1S/C14H15NO2/c1-3-4-10-5-6-13-12(9-10)11(7-8-15-13)14(16)17-2/h5-9H,3-4H2,1-2H3
InChIKeyLPPPFHFIPLMXGI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.97
Rot. Bonds3

About methyl 6-propylquinoline-4-carboxylate

methyl 6-propylquinoline-4-carboxylate (PubChem CID 102941688) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is methyl 6-propylquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-propylquinoline-4-carboxylate
PubChem CID102941688
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Namemethyl 6-propylquinoline-4-carboxylate
SMILESCCCc1ccc2nccc(C(=O)OC)c2c1
InChIInChI=1S/C14H15NO2/c1-3-4-10-5-6-13-12(9-10)11(7-8-15-13)14(16)17-2/h5-9H,3-4H2,1-2H3
InChIKeyLPPPFHFIPLMXGI-UHFFFAOYSA-N
XLogP2.97
TPSA39.19 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 6-(hydroxymethyl)quinoline-4-carboxylate
CID 170539779
methyl 6-(diethylamino)quinoline-4-carboxylate
CID 102941784
methyl 6-(methylamino)quinoline-4-carboxylate
CID 171107860
6-ethylquinoline-4-carboxylic acid
CID 83527113
methyl 6-(1,3-difluoropropan-2-yloxy)quinoline-4-carboxylate
CID 170633382
methyl 6-(2-fluoroethoxy)quinoline-4-carboxylate
CID 170633336
methyl 6-butyl-4-(methylamino)quinoline-3-carboxylate
CID 102614811
methyl 6,7-dimethoxyquinoline-4-carboxylate
CID 59756874
dimethyl quinoline-4,7-dicarboxylate
CID 100951662
ethyl 4-amino-6-propylquinoline-3-carboxylate
CID 55044912
ethyl 4-chloro-6-propylquinoline-3-carboxylate
CID 30058351
methyl 6-(3,3-dimethylazetidin-1-yl)quinoline-4-carboxylate
CID 164532925

Frequently Asked Questions

What is the IUPAC name of methyl 6-propylquinoline-4-carboxylate?
The IUPAC name of methyl 6-propylquinoline-4-carboxylate (CID 102941688) is methyl 6-propylquinoline-4-carboxylate.
What is the SMILES notation for methyl 6-propylquinoline-4-carboxylate?
The canonical SMILES for methyl 6-propylquinoline-4-carboxylate is CCCc1ccc2nccc(C(=O)OC)c2c1.
What is the InChIKey of methyl 6-propylquinoline-4-carboxylate?
The InChIKey is LPPPFHFIPLMXGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-3-4-10-5-6-13-12(9-10)11(7-8-15-13)14(16)17-2/h5-9H,3-4H2,1-2H3.
What are the key properties of methyl 6-propylquinoline-4-carboxylate?
methyl 6-propylquinoline-4-carboxylate has a molecular weight of 229.28 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-propylquinoline-4-carboxylate is sourced from PubChem (CID 102941688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).