N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide

C15H19N3O2 — CID 106771439

IUPACN-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide
SMILESCNc1ncc(C(=O)N(C)CCOC)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-16-14-12-7-5-4-6-11(12)13(10-17-14)15(19)18(2)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyLXTIQKXRSNRMGY-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.99
Rot. Bonds5

About N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide

N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide (PubChem CID 106771439) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide
PubChem CID106771439
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC NameN-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide
SMILESCNc1ncc(C(=O)N(C)CCOC)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-16-14-12-7-5-4-6-11(12)13(10-17-14)15(19)18(2)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,16,17)
InChIKeyLXTIQKXRSNRMGY-UHFFFAOYSA-N
XLogP1.99
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(methylamino)-N,N-dipropylisoquinoline-4-carboxamide
CID 106770174
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106770477
5-methoxy-N-(2-methoxyethyl)-N-methyl-6-(methylamino)pyridine-3-carboxamide
CID 176992350
1-(ethylamino)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106770082
N-butyl-1-(methylamino)isoquinoline-4-carboxamide
CID 106769901
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-4-carboxamide
CID 106772538
1-(methylamino)-N-(2,2,2-trifluoroethyl)isoquinoline-4-carboxamide
CID 106769970
2-[2-methoxyethyl(methyl)carbamoyl]benzoic acid
CID 61041287
2-hydrazinyl-N-(2-methoxyethyl)-N-methylpyridine-3-carboxamide
CID 62241293
1-(ethylamino)-N-(3-methoxypropyl)isoquinoline-4-carboxamide
CID 106770431
methyl 1-(2-methoxyethylamino)isoquinoline-4-carboxylate
CID 22581201
1-(methylamino)-N-(2-methylsulfinylethyl)isoquinoline-4-carboxamide
CID 106772837

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide (CID 106771439) is N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide is CNc1ncc(C(=O)N(C)CCOC)c2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide?
The InChIKey is LXTIQKXRSNRMGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-16-14-12-7-5-4-6-11(12)13(10-17-14)15(19)18(2)8-9-20-3/h4-7,10H,8-9H2,1-3H3,(H,16,17).
What are the key properties of N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide?
N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-N-methyl-1-(methylamino)isoquinoline-4-carboxamide is sourced from PubChem (CID 106771439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).