N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide

C17H13ClN2O3 — CID 54712825

IUPACN-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2Cl)c(O)c2ccccc2c1=O
InChIInChI=1S/C17H13ClN2O3/c1-20-14(16(22)19-13-9-5-4-8-12(13)18)15(21)10-6-2-3-7-11(10)17(20)23/h2-9,21H,1H3,(H,19,22)
InChIKeyDCOSIFUAAHOWPG-UHFFFAOYSA-N
MW328.76 g/mol
LogP3.15
Rot. Bonds2

About N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide

N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide (PubChem CID 54712825) has the molecular formula C17H13ClN2O3 and a molecular weight of 328.76 g/mol. Its IUPAC name is N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide
PubChem CID54712825
Molecular FormulaC17H13ClN2O3
Molecular Weight328.76 g/mol
Exact Mass328.06
IUPAC NameN-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide
SMILESCn1c(C(=O)Nc2ccccc2Cl)c(O)c2ccccc2c1=O
InChIInChI=1S/C17H13ClN2O3/c1-20-14(16(22)19-13-9-5-4-8-12(13)18)15(21)10-6-2-3-7-11(10)17(20)23/h2-9,21H,1H3,(H,19,22)
InChIKeyDCOSIFUAAHOWPG-UHFFFAOYSA-N
XLogP3.15
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.76
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide (CID 54712825) is N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide is Cn1c(C(=O)Nc2ccccc2Cl)c(O)c2ccccc2c1=O.
What is the InChIKey of N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide?
The InChIKey is DCOSIFUAAHOWPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN2O3/c1-20-14(16(22)19-13-9-5-4-8-12(13)18)15(21)10-6-2-3-7-11(10)17(20)23/h2-9,21H,1H3,(H,19,22).
What are the key properties of N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide?
N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide has a molecular weight of 328.76 g/mol, XLogP of 3.15, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-4-hydroxy-2-methyl-1-oxoisoquinoline-3-carboxamide is sourced from PubChem (CID 54712825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).