N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide

C17H12Cl2N2O3 — CID 54712827

IUPACN-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCn1c(C(=O)Nc2cc(Cl)ccc2Cl)c(O)c2ccccc2c1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-21-14(15(22)10-4-2-3-5-11(10)17(21)24)16(23)20-13-8-9(18)6-7-12(13)19/h2-8,22H,1H3,(H,20,23)
InChIKeyFDKKLSFLTYVHJK-UHFFFAOYSA-N
MW363.20 g/mol
LogP3.80
Rot. Bonds2

About N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide

N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 54712827) has the molecular formula C17H12Cl2N2O3 and a molecular weight of 363.20 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID54712827
Molecular FormulaC17H12Cl2N2O3
Molecular Weight363.20 g/mol
Exact Mass362.02
IUPAC NameN-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCn1c(C(=O)Nc2cc(Cl)ccc2Cl)c(O)c2ccccc2c1=O
InChIInChI=1S/C17H12Cl2N2O3/c1-21-14(15(22)10-4-2-3-5-11(10)17(21)24)16(23)20-13-8-9(18)6-7-12(13)19/h2-8,22H,1H3,(H,20,23)
InChIKeyFDKKLSFLTYVHJK-UHFFFAOYSA-N
XLogP3.80
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.20
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide (CID 54712827) is N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide is Cn1c(C(=O)Nc2cc(Cl)ccc2Cl)c(O)c2ccccc2c1=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is FDKKLSFLTYVHJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12Cl2N2O3/c1-21-14(15(22)10-4-2-3-5-11(10)17(21)24)16(23)20-13-8-9(18)6-7-12(13)19/h2-8,22H,1H3,(H,20,23).
What are the key properties of N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide?
N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 363.20 g/mol, XLogP of 3.80, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 54712827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).