N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide

C15H18N2O3 — CID 60743064

IUPACN-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-2-7-17(8-9-18)15(20)13-10-11-5-3-4-6-12(11)14(19)16-13/h3-6,10,18H,2,7-9H2,1H3,(H,16,19)
InChIKeyWYCUHBKNZUKPJZ-UHFFFAOYSA-N
MW274.32 g/mol
LogP1.37
Rot. Bonds5

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

N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide (PubChem CID 60743064) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide
PubChem CID60743064
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC NameN-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide
SMILESCCCN(CCO)C(=O)c1cc2ccccc2c(=O)[nH]1
InChIInChI=1S/C15H18N2O3/c1-2-7-17(8-9-18)15(20)13-10-11-5-3-4-6-12(11)14(19)16-13/h3-6,10,18H,2,7-9H2,1H3,(H,16,19)
InChIKeyWYCUHBKNZUKPJZ-UHFFFAOYSA-N
XLogP1.37
TPSA73.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-dimethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 47120487
N-ethyl-1-oxo-N-(thiophen-2-ylmethyl)-2H-isoquinoline-3-carboxamide
CID 33032493
1-hydroxy-N-(2-hydroxyethyl)-N-propylnaphthalene-2-carboxamide
CID 60747623
N-(2-hydroxyethyl)-1-(methylamino)-N-propylisoquinoline-3-carboxamide
CID 62174192
methyl 2-[methyl-(1-oxo-2H-isoquinoline-3-carbonyl)amino]acetate
CID 43409762
N-(4-fluorophenyl)-N-methyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 71938315
hydroxymethyl 1-oxo-2H-isoquinoline-3-carboxylate
CID 140510528
N-(6-hydroxyhexyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 103919131
N-(2-ethylbutyl)-1-oxo-2H-isoquinoline-3-carboxamide
CID 115612850
N-[2-(N-methylanilino)ethyl]-1-oxo-2H-isoquinoline-3-carboxamide
CID 24675648
N-[1-(1-benzofuran-2-yl)ethyl]-N-ethyl-1-oxo-2H-isoquinoline-3-carboxamide
CID 60575299
3-hydroxy-N-(2-hydroxyethyl)-N-propylbenzamide
CID 60655677

Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide (CID 60743064) is N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide is CCCN(CCO)C(=O)c1cc2ccccc2c(=O)[nH]1.
What is the InChIKey of N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide?
The InChIKey is WYCUHBKNZUKPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-2-7-17(8-9-18)15(20)13-10-11-5-3-4-6-12(11)14(19)16-13/h3-6,10,18H,2,7-9H2,1H3,(H,16,19).
What are the key properties of N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide?
N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide has a molecular weight of 274.32 g/mol, XLogP of 1.37, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxyethyl)-1-oxo-N-propyl-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 60743064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).