4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide

C17H14N2O4 — CID 69411086

IUPAC4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide
SMILESCOc1cccc(Oc2nc(C(N)=O)c(O)c3ccccc23)c1
InChIInChI=1S/C17H14N2O4/c1-22-10-5-4-6-11(9-10)23-17-13-8-3-2-7-12(13)15(20)14(19-17)16(18)21/h2-9,20H,1H3,(H2,18,21)
InChIKeyUPFWYNORRHTBME-UHFFFAOYSA-N
MW310.31 g/mol
LogP2.84
Rot. Bonds4

About 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide

4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide (PubChem CID 69411086) has the molecular formula C17H14N2O4 and a molecular weight of 310.31 g/mol. Its IUPAC name is 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide.

Molecular Properties

Compound Name4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide
PubChem CID69411086
Molecular FormulaC17H14N2O4
Molecular Weight310.31 g/mol
Exact Mass310.10
IUPAC Name4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide
SMILESCOc1cccc(Oc2nc(C(N)=O)c(O)c3ccccc23)c1
InChIInChI=1S/C17H14N2O4/c1-22-10-5-4-6-11(9-10)23-17-13-8-3-2-7-12(13)15(20)14(19-17)16(18)21/h2-9,20H,1H3,(H2,18,21)
InChIKeyUPFWYNORRHTBME-UHFFFAOYSA-N
XLogP2.84
TPSA94.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.31
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[3-carbamoyl-1-(3-fluorophenoxy)isoquinolin-4-yl] acetate
CID 91524725
4-hydroxy-1-(methoxymethyl)-7-phenoxyisoquinoline-3-carboxamide
CID 141104929
1-cyano-4-hydroxy-6-methoxyisoquinoline-3-carboxamide
CID 141385106
N-[3-[4-(4-methoxyphenyl)phthalazin-1-yl]oxyphenyl]acetamide
CID 2885533
2-(3-methoxyphenoxy)-3-methylquinoxaline
CID 39999926
5-amino-2-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 11658697
1,3-dimethoxybenzene;1,4-dimethoxybenzene
CID 91359455
1-methoxy-2-(3-methoxyphenoxy)benzene
CID 14020526
6-(3-methoxyphenoxy)-5-methylpyridine-3-carboxylic acid
CID 80631293
1-(3-methoxyphenyl)-2-naphthalen-1-ylethane-1,2-dione
CID 56956967
2-[[1-(4-fluorophenoxy)-4-hydroxyisoquinoline-3-carbonyl]amino]acetic acid
CID 11348825
1-cyano-4-hydroxy-5-phenoxyisoquinoline-3-carboxamide
CID 141186454

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide?
The IUPAC name of 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide (CID 69411086) is 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide.
What is the SMILES notation for 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide?
The canonical SMILES for 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide is COc1cccc(Oc2nc(C(N)=O)c(O)c3ccccc23)c1.
What is the InChIKey of 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide?
The InChIKey is UPFWYNORRHTBME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O4/c1-22-10-5-4-6-11(9-10)23-17-13-8-3-2-7-12(13)15(20)14(19-17)16(18)21/h2-9,20H,1H3,(H2,18,21).
What are the key properties of 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide?
4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide has a molecular weight of 310.31 g/mol, XLogP of 2.84, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-(3-methoxyphenoxy)isoquinoline-3-carboxamide is sourced from PubChem (CID 69411086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).