N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide

C16H10Cl2N2O3 — CID 54730498

IUPACN-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1[nH]c(=O)c2ccccc2c1O
InChIInChI=1S/C16H10Cl2N2O3/c17-11-6-5-8(7-12(11)18)19-16(23)13-14(21)9-3-1-2-4-10(9)15(22)20-13/h1-7,21H,(H,19,23)(H,20,22)
InChIKeyPCUKDWZJOVLADT-UHFFFAOYSA-N
MW349.17 g/mol
LogP3.79
Rot. Bonds2

About N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide

N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide (PubChem CID 54730498) has the molecular formula C16H10Cl2N2O3 and a molecular weight of 349.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
PubChem CID54730498
Molecular FormulaC16H10Cl2N2O3
Molecular Weight349.17 g/mol
Exact Mass348.01
IUPAC NameN-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1[nH]c(=O)c2ccccc2c1O
InChIInChI=1S/C16H10Cl2N2O3/c17-11-6-5-8(7-12(11)18)19-16(23)13-14(21)9-3-1-2-4-10(9)15(22)20-13/h1-7,21H,(H,19,23)(H,20,22)
InChIKeyPCUKDWZJOVLADT-UHFFFAOYSA-N
XLogP3.79
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.17
LogP ≤ 53.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide (CID 54730498) is N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1[nH]c(=O)c2ccccc2c1O.
What is the InChIKey of N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
The InChIKey is PCUKDWZJOVLADT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N2O3/c17-11-6-5-8(7-12(11)18)19-16(23)13-14(21)9-3-1-2-4-10(9)15(22)20-13/h1-7,21H,(H,19,23)(H,20,22).
What are the key properties of N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide?
N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide has a molecular weight of 349.17 g/mol, XLogP of 3.79, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-4-hydroxy-1-oxo-2H-isoquinoline-3-carboxamide is sourced from PubChem (CID 54730498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).