1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide

C14H16N2O3 — CID 126639424

IUPAC1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCOc1nccc2cc(C(N)=O)c(OC(C)C)cc12
InChIInChI=1S/C14H16N2O3/c1-8(2)19-12-7-10-9(6-11(12)13(15)17)4-5-16-14(10)18-3/h4-8H,1-3H3,(H2,15,17)
InChIKeyOLCUTGTZJQWFKY-UHFFFAOYSA-N
MW260.29 g/mol
LogP2.13
Rot. Bonds4

About 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide

1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide (PubChem CID 126639424) has the molecular formula C14H16N2O3 and a molecular weight of 260.29 g/mol. Its IUPAC name is 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide.

Molecular Properties

Compound Name1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide
PubChem CID126639424
Molecular FormulaC14H16N2O3
Molecular Weight260.29 g/mol
Exact Mass260.12
IUPAC Name1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide
SMILESCOc1nccc2cc(C(N)=O)c(OC(C)C)cc12
InChIInChI=1S/C14H16N2O3/c1-8(2)19-12-7-10-9(6-11(12)13(15)17)4-5-16-14(10)18-3/h4-8H,1-3H3,(H2,15,17)
InChIKeyOLCUTGTZJQWFKY-UHFFFAOYSA-N
XLogP2.13
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide?
The IUPAC name of 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide (CID 126639424) is 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide.
What is the SMILES notation for 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide?
The canonical SMILES for 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide is COc1nccc2cc(C(N)=O)c(OC(C)C)cc12.
What is the InChIKey of 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide?
The InChIKey is OLCUTGTZJQWFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O3/c1-8(2)19-12-7-10-9(6-11(12)13(15)17)4-5-16-14(10)18-3/h4-8H,1-3H3,(H2,15,17).
What are the key properties of 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide?
1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide has a molecular weight of 260.29 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-7-propan-2-yloxyisoquinoline-6-carboxamide is sourced from PubChem (CID 126639424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).