N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide

C13H16N2O2 — CID 71063725

IUPACN-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide
SMILESCN1Cc2ccccc2C=C1C(=O)NCCO
InChIInChI=1S/C13H16N2O2/c1-15-9-11-5-3-2-4-10(11)8-12(15)13(17)14-6-7-16/h2-5,8,16H,6-7,9H2,1H3,(H,14,17)
InChIKeyWOPRHPORSCOWBA-UHFFFAOYSA-N
MW232.28 g/mol
LogP0.58
Rot. Bonds3

About N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide

N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide (PubChem CID 71063725) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide
PubChem CID71063725
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC NameN-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide
SMILESCN1Cc2ccccc2C=C1C(=O)NCCO
InChIInChI=1S/C13H16N2O2/c1-15-9-11-5-3-2-4-10(11)8-12(15)13(17)14-6-7-16/h2-5,8,16H,6-7,9H2,1H3,(H,14,17)
InChIKeyWOPRHPORSCOWBA-UHFFFAOYSA-N
XLogP0.58
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 50.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-3-(2-methyl-1H-isoquinolin-3-yl)propanamide
CID 177038950
N-(2-hydroxyethyl)-3-oxo-4H-naphthalene-1-carboxamide
CID 20558747
methyl N-[3-[(11Z)-6H-benzo[c][1]benzazocin-5-yl]-3-oxopropyl]carbamate
CID 166973642
ethane;N-(2-hydroxyethyl)-2-methylbenzamide
CID 143093743
N-(2-hydroxyethyl)-6-(4-methylpiperazin-1-yl)pyridine-2-carboxamide
CID 84575178
benzoic acid;N-(2-hydroxyethyl)benzamide
CID 68510330
N-(2-hydroxyethyl)naphthalene-2-carboxamide
CID 13288324
N-(2-hydroxyethyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyridine-3-carboxamide
CID 84570683
N-(2-hydroxyethyl)-4-[(4-methylpiperazin-1-yl)methyl]benzamide
CID 110903134
N-(1H-inden-2-ylmethyl)benzamide
CID 154711100
N-[3-(4-methylpiperazin-1-yl)propyl]-2H-chromene-3-carboxamide
CID 22578449
ethyl 1H-indene-2-carboxylate
CID 15378309

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide (CID 71063725) is N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide is CN1Cc2ccccc2C=C1C(=O)NCCO.
What is the InChIKey of N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide?
The InChIKey is WOPRHPORSCOWBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-15-9-11-5-3-2-4-10(11)8-12(15)13(17)14-6-7-16/h2-5,8,16H,6-7,9H2,1H3,(H,14,17).
What are the key properties of N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide?
N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide has a molecular weight of 232.28 g/mol, XLogP of 0.58, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-2-methyl-1H-isoquinoline-3-carboxamide is sourced from PubChem (CID 71063725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).