1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide

C16H11ClN2O2 — CID 106833830

IUPAC1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1O)c1cnc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClN2O2/c17-15-11-6-2-1-5-10(11)12(9-18-15)16(21)19-13-7-3-4-8-14(13)20/h1-9,20H,(H,19,21)
InChIKeyGCJSQOYRDGJHFD-UHFFFAOYSA-N
MW298.73 g/mol
LogP3.85
Rot. Bonds2

About 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide

1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide (PubChem CID 106833830) has the molecular formula C16H11ClN2O2 and a molecular weight of 298.73 g/mol. Its IUPAC name is 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide.

Molecular Properties

Compound Name1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide
PubChem CID106833830
Molecular FormulaC16H11ClN2O2
Molecular Weight298.73 g/mol
Exact Mass298.05
IUPAC Name1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide
SMILESO=C(Nc1ccccc1O)c1cnc(Cl)c2ccccc12
InChIInChI=1S/C16H11ClN2O2/c17-15-11-6-2-1-5-10(11)12(9-18-15)16(21)19-13-7-3-4-8-14(13)20/h1-9,20H,(H,19,21)
InChIKeyGCJSQOYRDGJHFD-UHFFFAOYSA-N
XLogP3.85
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.73
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

1-chloro-N-(2-methyl-3-pyridinyl)isoquinoline-4-carboxamide
CID 106766261
1-chloro-N-(1,3-dimethylpyrazol-4-yl)isoquinoline-4-carboxamide
CID 106766455
1-chloro-N-(5-methyl-1,3,4-oxadiazol-2-yl)isoquinoline-4-carboxamide
CID 106766417
1-chloro-N-(5-methyl-3-pyridinyl)isoquinoline-4-carboxamide
CID 106831970
1-(1-chloroisoquinolin-4-yl)ethanone
CID 53402377
3-chloro-N-(2-hydroxyphenyl)pyridine-4-carboxamide
CID 103715642
N-(2-acetamidoethyl)-1-chloroisoquinoline-4-carboxamide
CID 106765961
1-chloro-N-(1-oxothian-4-yl)isoquinoline-4-carboxamide
CID 106766369
1-chloro-N-(2-ethylbutyl)isoquinoline-4-carboxamide
CID 106766412
1-chloro-N-(4-methoxybutan-2-yl)isoquinoline-4-carboxamide
CID 106766226
N-(5-bromo-2-chloro-3-pyridinyl)-2-hydroxybenzamide
CID 102979359
1-chloro-N-(furan-2-ylmethyl)isoquinoline-4-carboxamide
CID 106765838

Frequently Asked Questions

What is the IUPAC name of 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide?
The IUPAC name of 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide (CID 106833830) is 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide.
What is the SMILES notation for 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide?
The canonical SMILES for 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide is O=C(Nc1ccccc1O)c1cnc(Cl)c2ccccc12.
What is the InChIKey of 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide?
The InChIKey is GCJSQOYRDGJHFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11ClN2O2/c17-15-11-6-2-1-5-10(11)12(9-18-15)16(21)19-13-7-3-4-8-14(13)20/h1-9,20H,(H,19,21).
What are the key properties of 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide?
1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide has a molecular weight of 298.73 g/mol, XLogP of 3.85, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-N-(2-hydroxyphenyl)isoquinoline-4-carboxamide is sourced from PubChem (CID 106833830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).