1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide

C16H21N3O3 — CID 12043870

IUPAC1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide
SMILESCCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12
InChIInChI=1S/C16H21N3O3/c1-4-5-18-16(20)12-9-19-13(8-17)11-7-15(22-3)14(21-2)6-10(11)12/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyRKVRNVBMSCBYHI-UHFFFAOYSA-N
MW303.36 g/mol
LogP1.85
Rot. Bonds6

About 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide

1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide (PubChem CID 12043870) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide
PubChem CID12043870
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Name1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide
SMILESCCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12
InChIInChI=1S/C16H21N3O3/c1-4-5-18-16(20)12-9-19-13(8-17)11-7-15(22-3)14(21-2)6-10(11)12/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20)
InChIKeyRKVRNVBMSCBYHI-UHFFFAOYSA-N
XLogP1.85
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide?
The IUPAC name of 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide (CID 12043870) is 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide.
What is the SMILES notation for 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide?
The canonical SMILES for 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide is CCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12.
What is the InChIKey of 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide?
The InChIKey is RKVRNVBMSCBYHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-4-5-18-16(20)12-9-19-13(8-17)11-7-15(22-3)14(21-2)6-10(11)12/h6-7,9H,4-5,8,17H2,1-3H3,(H,18,20).
What are the key properties of 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide?
1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide has a molecular weight of 303.36 g/mol, XLogP of 1.85, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide is sourced from PubChem (CID 12043870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).