1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride

C13H16ClN3O3 — CID 45259984

IUPAC1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride
SMILESCOc1cc2c(C(N)=O)cnc(CN)c2cc1OC.Cl
InChIInChI=1S/C13H15N3O3.ClH/c1-18-11-3-7-8(4-12(11)19-2)10(5-14)16-6-9(7)13(15)17;/h3-4,6H,5,14H2,1-2H3,(H2,15,17);1H
InChIKeyOHIAQQNCCHDJMY-UHFFFAOYSA-N
MW297.74 g/mol
LogP1.23
Rot. Bonds4

About 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride

1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride (PubChem CID 45259984) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride
PubChem CID45259984
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride
SMILESCOc1cc2c(C(N)=O)cnc(CN)c2cc1OC.Cl
InChIInChI=1S/C13H15N3O3.ClH/c1-18-11-3-7-8(4-12(11)19-2)10(5-14)16-6-9(7)13(15)17;/h3-4,6H,5,14H2,1-2H3,(H2,15,17);1H
InChIKeyOHIAQQNCCHDJMY-UHFFFAOYSA-N
XLogP1.23
TPSA100.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Papaveraldine
CID 96932
5-Ethyl-7,8-dimethoxy-1H-pyrrolo[3,4-c]isoquinoline-1,3(2H)-dione
CID 23829003
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
6,7-Dimethoxy-4-(o-tolylamino)quinoline-3-carboxamide
CID 44570804
Pseudocoralyne
CID 72351
4-anilino-6,7-dimethoxy-N-methylquinoline-3-carboxamide
CID 127029779
2-ethyl-6,7-dimethoxy-1-oxo-N-(pyridin-3-ylmethyl)-1,2-dihydroisoquinoline-4-carboxamide
CID 3239765
6,7-dimethoxy-2-(2-methylpropyl)-1-oxo-N-(pyridin-2-ylmethyl)isoquinoline-4-carboxamide
CID 5307222
3-Amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
CID 10046038
2-Amino-5-[2-(dimethylamino)ethyl]-8,9-dimethoxyisoquinolino[4,3-c]quinolin-6-one
CID 10363113
Ethyl 1-(aminomethyl)-6,8-dimethoxyisoquinoline-4-carboxylate
CID 11778955
6,7-Dimethoxy-4-(4-methoxyphenylamino)quinoline-3-carboxamide
CID 22170203

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride (CID 45259984) is 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride is COc1cc2c(C(N)=O)cnc(CN)c2cc1OC.Cl.
What is the InChIKey of 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride?
The InChIKey is OHIAQQNCCHDJMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3.ClH/c1-18-11-3-7-8(4-12(11)19-2)10(5-14)16-6-9(7)13(15)17;/h3-4,6H,5,14H2,1-2H3,(H2,15,17);1H.
What are the key properties of 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride?
1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride has a molecular weight of 297.74 g/mol, XLogP of 1.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6,7-dimethoxyisoquinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 45259984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).