methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate

C14H16N2O3 — CID 22581201

IUPACmethyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate
SMILESCOCCNc1ncc(C(=O)OC)c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-18-8-7-15-13-11-6-4-3-5-10(11)12(9-16-13)14(17)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyWJYNINMAFXKHNW-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.08
Rot. Bonds5

About methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate

methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate (PubChem CID 22581201) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate
PubChem CID22581201
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Namemethyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate
SMILESCOCCNc1ncc(C(=O)OC)c2ccccc12
InChIInChI=1S/C14H16N2O3/c1-18-8-7-15-13-11-6-4-3-5-10(11)12(9-16-13)14(17)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,16)
InChIKeyWJYNINMAFXKHNW-UHFFFAOYSA-N
XLogP2.08
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
1-(2-carbamoyloxyethylamino)isoquinoline-4-carboxylic acid
CID 106767433
N-(2-methoxyethyl)-4-[(propan-2-ylamino)methyl]isoquinolin-1-amine
CID 106776846
4-(2-methoxyethylamino)quinoline-3-carboxylic acid
CID 61340793
1-(ethylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770073
1-amino-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770080
1-[2-[methyl(propan-2-yl)amino]ethylamino]isoquinoline-4-carboxylic acid
CID 106766971
N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106771439
methyl 5-bromo-6-(2-methoxyethylamino)pyridine-3-carboxylate
CID 68754647
1-[3-(dimethylamino)propylamino]isoquinoline-4-carboxylic acid
CID 106766513
methyl 1-[(2,3-dimethylcyclohexyl)amino]isoquinoline-4-carboxylate
CID 126476831

Frequently Asked Questions

What is the IUPAC name of methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate?
The IUPAC name of methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate (CID 22581201) is methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate.
What is the SMILES notation for methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate?
The canonical SMILES for methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate is COCCNc1ncc(C(=O)OC)c2ccccc12.
What is the InChIKey of methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate?
The InChIKey is WJYNINMAFXKHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-18-8-7-15-13-11-6-4-3-5-10(11)12(9-16-13)14(17)19-2/h3-6,9H,7-8H2,1-2H3,(H,15,16).
What are the key properties of methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate?
methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate has a molecular weight of 260.29 g/mol, XLogP of 2.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate is sourced from PubChem (CID 22581201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).