N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide

C16H21N3O2 — CID 62174192

IUPACN-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cc2ccccc2c(NC)n1
InChIInChI=1S/C16H21N3O2/c1-3-8-19(9-10-20)16(21)14-11-12-6-4-5-7-13(12)15(17-2)18-14/h4-7,11,20H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyADBOUZMBZULQBY-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.12
Rot. Bonds6

About N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide

N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide (PubChem CID 62174192) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
PubChem CID62174192
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cc2ccccc2c(NC)n1
InChIInChI=1S/C16H21N3O2/c1-3-8-19(9-10-20)16(21)14-11-12-6-4-5-7-13(12)15(17-2)18-14/h4-7,11,20H,3,8-10H2,1-2H3,(H,17,18)
InChIKeyADBOUZMBZULQBY-UHFFFAOYSA-N
XLogP2.12
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide 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-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62171984
N-(2-cyanoethyl)-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
CID 62174806
1-amino-N-butyl-N-(2-hydroxyethyl)isoquinoline-3-carboxamide
CID 62160551
N-ethyl-1-(methylamino)-N-propan-2-ylisoquinoline-3-carboxamide
CID 62168608
N-cyclopropyl-N-ethyl-1-(methylamino)isoquinoline-3-carboxamide
CID 62170487
N-(2,2-dimethylbutyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 103464570
N-(2,2-difluoroethyl)-1-(methylamino)isoquinoline-3-carboxamide
CID 115408617
N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide
CID 60743064
N,N-dimethyl-1-(propylamino)isoquinoline-3-carboxamide
CID 62171251
N-cyclopropyl-1-hydrazinyl-N-propylisoquinoline-3-carboxamide
CID 62241182
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623
4-hydrazinyl-N,N-dipropylquinoline-2-carboxamide
CID 63375200

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide (CID 62174192) is N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide is CCCN(CCO)C(=O)c1cc2ccccc2c(NC)n1.
What is the InChIKey of N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide?
The InChIKey is ADBOUZMBZULQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-3-8-19(9-10-20)16(21)14-11-12-6-4-5-7-13(12)15(17-2)18-14/h4-7,11,20H,3,8-10H2,1-2H3,(H,17,18).
What are the key properties of N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide?
N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.12, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide is sourced from PubChem (CID 62174192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).