2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid

C18H28N2O4 — CID 158465071

IUPAC2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid
SMILESCOC(C)c1nc2c(cc1CNCCCOCC(=O)O)CCCC2
InChIInChI=1S/C18H28N2O4/c1-13(23-2)18-15(10-14-6-3-4-7-16(14)20-18)11-19-8-5-9-24-12-17(21)22/h10,13,19H,3-9,11-12H2,1-2H3,(H,21,22)
InChIKeyPNFICNPYWOXYKS-UHFFFAOYSA-N
MW336.43 g/mol
LogP2.25
Rot. Bonds10

About 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid

2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid (PubChem CID 158465071) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid.

Molecular Properties

Compound Name2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid
PubChem CID158465071
Molecular FormulaC18H28N2O4
Molecular Weight336.43 g/mol
Exact Mass336.20
IUPAC Name2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid
SMILESCOC(C)c1nc2c(cc1CNCCCOCC(=O)O)CCCC2
InChIInChI=1S/C18H28N2O4/c1-13(23-2)18-15(10-14-6-3-4-7-16(14)20-18)11-19-8-5-9-24-12-17(21)22/h10,13,19H,3-9,11-12H2,1-2H3,(H,21,22)
InChIKeyPNFICNPYWOXYKS-UHFFFAOYSA-N
XLogP2.25
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.43
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid;4-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methyl]-1,4-oxazepan-3-one
CID 158465070
2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinoline-3-carbaldehyde
CID 163905685
2-propan-2-yl-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 84684770
2-propan-2-yl-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 116533417
2-(4-methoxybutylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710159
N-[(2-methyl-6,7-dihydro-5H-cyclopenta[b]pyridin-3-yl)methyl]propan-1-amine
CID 82452222
2-(1-ethoxypropan-2-ylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 62710679
2-[2-[[2-(2,3-dihydro-1H-inden-5-yl)acetyl]amino]ethoxy]acetic acid
CID 79469532
2-[3-(2-methoxyethoxy)propoxy]-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxylic acid
CID 103406977
5-[(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)amino]hexanoic acid
CID 82845367
2-(5-methylhexylamino)-5,6,7,8-tetrahydroquinoline-3-carboxylic acid
CID 115327353
N-benzyl-3-(6,7-dihydro-5H-cyclopenta[b]pyridin-2-yloxy)propan-1-amine
CID 114783197

Frequently Asked Questions

What is the IUPAC name of 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid?
The IUPAC name of 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid (CID 158465071) is 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid.
What is the SMILES notation for 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid?
The canonical SMILES for 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid is COC(C)c1nc2c(cc1CNCCCOCC(=O)O)CCCC2.
What is the InChIKey of 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid?
The InChIKey is PNFICNPYWOXYKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-13(23-2)18-15(10-14-6-3-4-7-16(14)20-18)11-19-8-5-9-24-12-17(21)22/h10,13,19H,3-9,11-12H2,1-2H3,(H,21,22).
What are the key properties of 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid?
2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid has a molecular weight of 336.43 g/mol, XLogP of 2.25, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[[2-(1-methoxyethyl)-5,6,7,8-tetrahydroquinolin-3-yl]methylamino]propoxy]acetic acid is sourced from PubChem (CID 158465071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).