N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide

C19H16N2O3 — CID 56861286

IUPACN-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide
SMILESCN(CC(=O)c1ccc(O)cc1)C(=O)c1cccc2cnccc12
InChIInChI=1S/C19H16N2O3/c1-21(12-18(23)13-5-7-15(22)8-6-13)19(24)17-4-2-3-14-11-20-10-9-16(14)17/h2-11,22H,12H2,1H3
InChIKeySVFMDWTZTGVHIE-UHFFFAOYSA-N
MW320.35 g/mol
LogP2.90
Rot. Bonds4

About N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide

N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide (PubChem CID 56861286) has the molecular formula C19H16N2O3 and a molecular weight of 320.35 g/mol. Its IUPAC name is N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide
PubChem CID56861286
Molecular FormulaC19H16N2O3
Molecular Weight320.35 g/mol
Exact Mass320.12
IUPAC NameN-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide
SMILESCN(CC(=O)c1ccc(O)cc1)C(=O)c1cccc2cnccc12
InChIInChI=1S/C19H16N2O3/c1-21(12-18(23)13-5-7-15(22)8-6-13)19(24)17-4-2-3-14-11-20-10-9-16(14)17/h2-11,22H,12H2,1H3
InChIKeySVFMDWTZTGVHIE-UHFFFAOYSA-N
XLogP2.90
TPSA70.50 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N,N-diethylisoquinoline-5-carboxamide
CID 86202974
1-isoquinolin-5-yl-2-methylsulfanylethanone
CID 62813335
1-isoquinolin-5-yl-2-methylsulfonylethanone
CID 55119378
2-tert-butylsulfanyl-1-isoquinolin-5-ylethanone
CID 65133357
1-isoquinolin-5-yl-4-methylpentan-1-one
CID 62813326
(4-aminophenyl)-isoquinolin-5-ylmethanone
CID 116548861
4-hydroxy-1-isoquinolin-5-ylbutan-1-one
CID 106677466
N-(isoquinolin-5-ylmethyl)-N-methyl-4-(1,2,4-triazol-4-yl)benzamide
CID 56744886
4-chloro-1-isoquinolin-5-ylbutan-1-one
CID 66047534
2-(3,5-dimethylphenyl)-1-isoquinolin-5-ylethanone
CID 62813173
(1-aminocyclopropyl)-isoquinolin-5-ylmethanone
CID 116576743
1-isoquinolin-5-yl-2-methoxybutan-1-one
CID 116707361

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide?
The IUPAC name of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide (CID 56861286) is N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide?
The canonical SMILES for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide is CN(CC(=O)c1ccc(O)cc1)C(=O)c1cccc2cnccc12.
What is the InChIKey of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide?
The InChIKey is SVFMDWTZTGVHIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O3/c1-21(12-18(23)13-5-7-15(22)8-6-13)19(24)17-4-2-3-14-11-20-10-9-16(14)17/h2-11,22H,12H2,1H3.
What are the key properties of N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide?
N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxyphenyl)-2-oxoethyl]-N-methylisoquinoline-5-carboxamide is sourced from PubChem (CID 56861286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).