N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide

C16H21N3O2 — CID 63287507

IUPACN-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide
SMILESCOCCN(CCCN)C(=O)c1nccc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-21-12-11-19(10-4-8-17)16(20)15-14-6-3-2-5-13(14)7-9-18-15/h2-3,5-7,9H,4,8,10-12,17H2,1H3
InChIKeyMTDAXHXZFLPBOK-UHFFFAOYSA-N
MW287.36 g/mol
LogP1.67
Rot. Bonds7

About N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide

N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide (PubChem CID 63287507) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide
PubChem CID63287507
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide
SMILESCOCCN(CCCN)C(=O)c1nccc2ccccc12
InChIInChI=1S/C16H21N3O2/c1-21-12-11-19(10-4-8-17)16(20)15-14-6-3-2-5-13(14)7-9-18-15/h2-3,5-7,9H,4,8,10-12,17H2,1H3
InChIKeyMTDAXHXZFLPBOK-UHFFFAOYSA-N
XLogP1.67
TPSA68.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-butylisoquinoline-1-carboxamide
CID 63753520
N-(3-aminopropyl)-N-(2-methoxyethyl)-1-benzofuran-2-carboxamide
CID 63287232
N-(3-aminopropyl)-2-fluoro-N-(2-methoxyethyl)benzamide
CID 55173242
N-(6-aminohexyl)isoquinoline-1-carboxamide
CID 107843824
N-(3-aminopropyl)-N-(2-methoxyethyl)-2,3-dimethylbenzamide
CID 55173243
N-(2-aminopropyl)-N-methylisoquinoline-1-carboxamide
CID 63755212
N-(3-aminopropyl)-4-tert-butyl-N-(2-methoxyethyl)benzamide
CID 63287136
N-ethyl-N-prop-2-ynylisoquinoline-1-carboxamide
CID 78918007
N-(3-aminopropyl)-N-(2-methoxyethyl)-2-(4-methoxyphenyl)acetamide
CID 63287501
N-(4-amino-2,2-dimethylbutyl)isoquinoline-1-carboxamide
CID 106140221
2-(aminomethyl)-N,N-bis(2-methoxyethyl)pyridine-4-carboxamide
CID 114325701
N-[(3,4-dichlorophenyl)methyl]-N-[3-(dimethylamino)propyl]isoquinoline-1-carboxamide
CID 52822247

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide (CID 63287507) is N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide is COCCN(CCCN)C(=O)c1nccc2ccccc12.
What is the InChIKey of N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide?
The InChIKey is MTDAXHXZFLPBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-21-12-11-19(10-4-8-17)16(20)15-14-6-3-2-5-13(14)7-9-18-15/h2-3,5-7,9H,4,8,10-12,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide?
N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 1.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-(2-methoxyethyl)isoquinoline-1-carboxamide is sourced from PubChem (CID 63287507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).