1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide

C14H16N2O4 — CID 126639616

IUPAC1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide
SMILESCOCCOc1cc2c(OC)nccc2cc1C(N)=O
InChIInChI=1S/C14H16N2O4/c1-18-5-6-20-12-8-10-9(7-11(12)13(15)17)3-4-16-14(10)19-2/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17)
InChIKeyVVARRJHEBOUHGP-UHFFFAOYSA-N
MW276.29 g/mol
LogP1.37
Rot. Bonds6

About 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide

1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide (PubChem CID 126639616) has the molecular formula C14H16N2O4 and a molecular weight of 276.29 g/mol. Its IUPAC name is 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide
PubChem CID126639616
Molecular FormulaC14H16N2O4
Molecular Weight276.29 g/mol
Exact Mass276.11
IUPAC Name1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide
SMILESCOCCOc1cc2c(OC)nccc2cc1C(N)=O
InChIInChI=1S/C14H16N2O4/c1-18-5-6-20-12-8-10-9(7-11(12)13(15)17)3-4-16-14(10)19-2/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17)
InChIKeyVVARRJHEBOUHGP-UHFFFAOYSA-N
XLogP1.37
TPSA83.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.29
LogP ≤ 51.37
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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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide?
The IUPAC name of 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide (CID 126639616) is 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide.
What is the SMILES notation for 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide?
The canonical SMILES for 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide is COCCOc1cc2c(OC)nccc2cc1C(N)=O.
What is the InChIKey of 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide?
The InChIKey is VVARRJHEBOUHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O4/c1-18-5-6-20-12-8-10-9(7-11(12)13(15)17)3-4-16-14(10)19-2/h3-4,7-8H,5-6H2,1-2H3,(H2,15,17).
What are the key properties of 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide?
1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide has a molecular weight of 276.29 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-(2-methoxyethoxy)isoquinoline-6-carboxamide is sourced from PubChem (CID 126639616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).