1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide

C15H19N3O — CID 62156475

IUPAC1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H19N3O/c1-10(2)9-18(3)15(19)13-8-11-6-4-5-7-12(11)14(16)17-13/h4-8,10H,9H2,1-3H3,(H2,16,17)
InChIKeyISMLHKIKXHZANU-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.55
Rot. Bonds3

About 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide

1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide (PubChem CID 62156475) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide
PubChem CID62156475
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide
SMILESCC(C)CN(C)C(=O)c1cc2ccccc2c(N)n1
InChIInChI=1S/C15H19N3O/c1-10(2)9-18(3)15(19)13-8-11-6-4-5-7-12(11)14(16)17-13/h4-8,10H,9H2,1-3H3,(H2,16,17)
InChIKeyISMLHKIKXHZANU-UHFFFAOYSA-N
XLogP2.55
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-isoquinolinecarboxamide
CID 15870543
1-(4-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-isoquinolinecarboxamide
CID 19601663
1-(3-iodophenyl)-N-methyl-N-(3-fluoropropyl)-3-isoquinolinecarboxamide
CID 19601673
WO2022070068, Example 2
CID 163200359
2-(4-Methyl-piperazin-1-yl)-3-propyl-quinoline-4-carboxylic acid diethylamide
CID 11210859
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dibutylamide
CID 11223216
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11326121
3-Ethyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11394108
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid dipropylamide
CID 11485023
2-(4-Methyl-piperazin-1-yl)-quinoline-4-carboxylic acid benzyl-methyl-amide
CID 11485632
3-Methyl-2-(4-methyl-piperazin-1-yl)-quinoline-4-carboxylic acid diethylamide
CID 11739328
N-(6-Amino-2-methyl-pyridin-3-ylmethyl)-2-((R)-3-benzyl-6-methyl-2,8-dioxo-2,3,4,8-tetrahydro-1H-[1,7]naphthyridin-7-yl)-acetamide
CID 12042269

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide?
The IUPAC name of 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide (CID 62156475) is 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide.
What is the SMILES notation for 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide?
The canonical SMILES for 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide is CC(C)CN(C)C(=O)c1cc2ccccc2c(N)n1.
What is the InChIKey of 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide?
The InChIKey is ISMLHKIKXHZANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-10(2)9-18(3)15(19)13-8-11-6-4-5-7-12(11)14(16)17-13/h4-8,10H,9H2,1-3H3,(H2,16,17).
What are the key properties of 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide?
1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-methyl-N-(2-methylpropyl)isoquinoline-3-carboxamide is sourced from PubChem (CID 62156475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).