3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid

C16H20N2O3 — CID 122059313

IUPAC3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid
SMILESCCCOc1cccc2c(N(C)CCC(=O)O)ccnc12
InChIInChI=1S/C16H20N2O3/c1-3-11-21-14-6-4-5-12-13(7-9-17-16(12)14)18(2)10-8-15(19)20/h4-7,9H,3,8,10-11H2,1-2H3,(H,19,20)
InChIKeyWCPVBBARXRNRBS-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.93
Rot. Bonds7

About 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid

3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid (PubChem CID 122059313) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid
PubChem CID122059313
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Name3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid
SMILESCCCOc1cccc2c(N(C)CCC(=O)O)ccnc12
InChIInChI=1S/C16H20N2O3/c1-3-11-21-14-6-4-5-12-13(7-9-17-16(12)14)18(2)10-8-15(19)20/h4-7,9H,3,8,10-11H2,1-2H3,(H,19,20)
InChIKeyWCPVBBARXRNRBS-UHFFFAOYSA-N
XLogP2.93
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(8-propoxyquinolin-4-yl)amino]propanoic acid
CID 122048150
2-[methyl-[1-(8-propoxyquinolin-4-yl)azepan-4-yl]amino]acetic acid
CID 122062359
3-[N-(2-methylpropanoyl)-2-propoxyanilino]propanoic acid
CID 82320984
methyl 4-amino-8-propoxyquinoline-3-carboxylate
CID 102614773
4-[(5-methoxyisoquinolin-1-yl)-methylamino]butanoic acid
CID 106535941
2,6-dichloro-N-[4-[2-methoxyethyl(methyl)amino]quinolin-8-yl]benzamide
CID 19592575
2,2-dimethyl-N-(8-propoxyquinolin-5-yl)propanamide
CID 100773580
3-(4-propoxyindol-1-yl)propanoic acid
CID 83163575
N-methyl-2-[1-(8-propoxyquinolin-4-yl)piperidin-4-yl]acetamide
CID 99842332
3-(5-sulfamoylquinolin-8-yl)oxypropanoic acid
CID 43342300
3-(5-chlorosulfonylquinolin-8-yl)oxypropanoic acid
CID 43115657
3-[methyl-(2-propylquinolin-4-yl)amino]propanoic acid
CID 122059531

Frequently Asked Questions

What is the IUPAC name of 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid?
The IUPAC name of 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid (CID 122059313) is 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid.
What is the SMILES notation for 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid?
The canonical SMILES for 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid is CCCOc1cccc2c(N(C)CCC(=O)O)ccnc12.
What is the InChIKey of 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid?
The InChIKey is WCPVBBARXRNRBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-3-11-21-14-6-4-5-12-13(7-9-17-16(12)14)18(2)10-8-15(19)20/h4-7,9H,3,8,10-11H2,1-2H3,(H,19,20).
What are the key properties of 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid?
3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid has a molecular weight of 288.35 g/mol, XLogP of 2.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[methyl-(8-propoxyquinolin-4-yl)amino]propanoic acid is sourced from PubChem (CID 122059313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).