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

C16H22ClN3O3 — CID 45264231

IUPAC1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12.Cl
InChIInChI=1S/C16H21N3O3.ClH/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);1H
InChIKeyZUZPPXKUYAALEB-UHFFFAOYSA-N
MW339.82 g/mol
LogP2.27
Rot. Bonds6

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

1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride (PubChem CID 45264231) has the molecular formula C16H22ClN3O3 and a molecular weight of 339.82 g/mol. Its IUPAC name is 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride
PubChem CID45264231
Molecular FormulaC16H22ClN3O3
Molecular Weight339.82 g/mol
Exact Mass339.13
IUPAC Name1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride
SMILESCCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12.Cl
InChIInChI=1S/C16H21N3O3.ClH/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);1H
InChIKeyZUZPPXKUYAALEB-UHFFFAOYSA-N
XLogP2.27
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 52.27
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-[2-[[4-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)ethyl]phenyl]carbamoyl]phenyl]quinoline-3-carboxamide
CID 15511440
N-(3,4-dimethoxybenzyl)-5-(3,5-dimethylphenyl)-2,3'-bipyridine-3-carboxamide
CID 24896566
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-fluoro-5-methylphenyl)-2-pyridin-3-ylpyridine-3-carboxamide
CID 25060899
N-[2-[(2S)-2-[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164614014
N-[2-[(2S)-2-[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoacetyl]pyrrolidin-1-yl]-2-oxoethyl]quinoline-4-carboxamide
CID 164628729
4-(2-Fluorophenylamino)-6,7-dimethoxyquinoline-3-carboxamide
CID 9945927
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
4-anilino-7-methoxy-N-methyl-6-[(4-methylpiperazin-1-yl)methoxy]quinoline-3-carboxamide
CID 162661735

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride (CID 45264231) is 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride is CCCNC(=O)c1cnc(CN)c2cc(OC)c(OC)cc12.Cl.
What is the InChIKey of 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride?
The InChIKey is ZUZPPXKUYAALEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3.ClH/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);1H.
What are the key properties of 1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride?
1-(aminomethyl)-6,7-dimethoxy-N-propylisoquinoline-4-carboxamide;hydrochloride has a molecular weight of 339.82 g/mol, XLogP of 2.27, 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;hydrochloride is sourced from PubChem (CID 45264231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).