1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride

C21H24ClN3O4 — CID 68613433

IUPAC1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)c2cnc(CN)c3c(OC)cc(OC)cc23)cc1.Cl
InChIInChI=1S/C21H23N3O4.ClH/c1-26-14-6-4-13(5-7-14)11-24-21(25)17-12-23-18(10-22)20-16(17)8-15(27-2)9-19(20)28-3;/h4-9,12H,10-11,22H2,1-3H3,(H,24,25);1H
InChIKeyNQRSNOPKTOTQRY-UHFFFAOYSA-N
MW417.89 g/mol
LogP3.07
Rot. Bonds7

About 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride

1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride (PubChem CID 68613433) has the molecular formula C21H24ClN3O4 and a molecular weight of 417.89 g/mol. Its IUPAC name is 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride
PubChem CID68613433
Molecular FormulaC21H24ClN3O4
Molecular Weight417.89 g/mol
Exact Mass417.15
IUPAC Name1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride
SMILESCOc1ccc(CNC(=O)c2cnc(CN)c3c(OC)cc(OC)cc23)cc1.Cl
InChIInChI=1S/C21H23N3O4.ClH/c1-26-14-6-4-13(5-7-14)11-24-21(25)17-12-23-18(10-22)20-16(17)8-15(27-2)9-19(20)28-3;/h4-9,12H,10-11,22H2,1-3H3,(H,24,25);1H
InChIKeyNQRSNOPKTOTQRY-UHFFFAOYSA-N
XLogP3.07
TPSA95.70 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.89
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(aminomethyl)-6,8-dimethoxy-N-(1-pyridin-3-ylethyl)isoquinoline-4-carboxamide;hydrochloride
CID 68614782
N-[(4-methoxyphenyl)methyl]-6-methyl-4-(methylamino)pyridine-3-carboxamide
CID 81239365
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
N-[(4-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 7772407
N-[(4-methoxyphenyl)methyl]-1-piperidin-1-ylisoquinoline-4-carboxamide
CID 46360383
N-[(4-hydroxyphenyl)methyl]-2,5-dimethoxybenzamide
CID 115577613
6-methoxy-N-[(4-methoxyphenyl)methyl]-1H-indole-3-carboxamide
CID 113206539
2-chloro-4-methoxy-N-[(4-methoxyphenyl)methyl]benzamide
CID 110763493
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
7-methoxy-N-[(4-methoxyphenyl)methyl]-3,4-dihydro-2H-1,5-benzodioxepine-8-carboxamide
CID 50812704

Frequently Asked Questions

What is the IUPAC name of 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride?
The IUPAC name of 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride (CID 68613433) is 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride?
The canonical SMILES for 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride is COc1ccc(CNC(=O)c2cnc(CN)c3c(OC)cc(OC)cc23)cc1.Cl.
What is the InChIKey of 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride?
The InChIKey is NQRSNOPKTOTQRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4.ClH/c1-26-14-6-4-13(5-7-14)11-24-21(25)17-12-23-18(10-22)20-16(17)8-15(27-2)9-19(20)28-3;/h4-9,12H,10-11,22H2,1-3H3,(H,24,25);1H.
What are the key properties of 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride?
1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride has a molecular weight of 417.89 g/mol, XLogP of 3.07, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(aminomethyl)-6,8-dimethoxy-N-[(4-methoxyphenyl)methyl]isoquinoline-4-carboxamide;hydrochloride is sourced from PubChem (CID 68613433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).