1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide

C15H19N3O2 — CID 106772800

IUPAC1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-2-18(8-5-9-19)15(20)13-10-17-14(16)12-7-4-3-6-11(12)13/h3-4,6-7,10,19H,2,5,8-9H2,1H3,(H2,16,17)
InChIKeyXAYFLIAPNIEEGI-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.66
Rot. Bonds5

About 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide

1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide (PubChem CID 106772800) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
PubChem CID106772800
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide
SMILESCCN(CCCO)C(=O)c1cnc(N)c2ccccc12
InChIInChI=1S/C15H19N3O2/c1-2-18(8-5-9-19)15(20)13-10-17-14(16)12-7-4-3-6-11(12)13/h3-4,6-7,10,19H,2,5,8-9H2,1H3,(H2,16,17)
InChIKeyXAYFLIAPNIEEGI-UHFFFAOYSA-N
XLogP1.66
TPSA79.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-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-amino-N-(3-hydroxypropyl)-N-propan-2-ylisoquinoline-4-carboxamide
CID 106771545
1-amino-N-(2-hydroxyethyl)-N-(2-methoxyethyl)isoquinoline-4-carboxamide
CID 106772798
1-amino-N-[2-(dimethylamino)ethyl]-N-methylisoquinoline-4-carboxamide
CID 106771901
1-amino-N-propan-2-yl-N-propylisoquinoline-4-carboxamide
CID 106770496
2-[ethyl(3-hydroxypropyl)carbamoyl]benzoic acid
CID 50877579
2-chloro-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115771499
N-ethyl-N-(3-hydroxypropyl)-1-benzothiophene-3-carboxamide
CID 115771813
1-chloro-N,N-diethylisoquinoline-4-carboxamide
CID 106765835
N-ethyl-N-(3-hydroxypropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 115771474
5-amino-2-chloro-N-ethyl-N-(3-hydroxypropyl)pyridine-3-carboxamide
CID 114046044
2-tert-butyl-N-ethyl-N-(3-hydroxypropyl)benzamide
CID 115772103
2-amino-N-ethyl-N-(3-hydroxypropyl)-3-methoxybenzamide
CID 113468548

Frequently Asked Questions

What is the IUPAC name of 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide (CID 106772800) is 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide is CCN(CCCO)C(=O)c1cnc(N)c2ccccc12.
What is the InChIKey of 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide?
The InChIKey is XAYFLIAPNIEEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-2-18(8-5-9-19)15(20)13-10-17-14(16)12-7-4-3-6-11(12)13/h3-4,6-7,10,19H,2,5,8-9H2,1H3,(H2,16,17).
What are the key properties of 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide?
1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide has a molecular weight of 273.34 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-amino-N-ethyl-N-(3-hydroxypropyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106772800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).