N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide

C24H20N2O4 — CID 137049892

IUPACN-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1c(O)n(OCc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H20N2O4/c27-22(25-15-17-9-3-1-4-10-17)21-19-13-7-8-14-20(19)23(28)26(24(21)29)30-16-18-11-5-2-6-12-18/h1-14,29H,15-16H2,(H,25,27)
InChIKeyMVPZIJVNRPXQGF-UHFFFAOYSA-N
MW400.43 g/mol
LogP3.27
Rot. Bonds6

About N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide

N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide (PubChem CID 137049892) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
PubChem CID137049892
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC NameN-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
SMILESO=C(NCc1ccccc1)c1c(O)n(OCc2ccccc2)c(=O)c2ccccc12
InChIInChI=1S/C24H20N2O4/c27-22(25-15-17-9-3-1-4-10-17)21-19-13-7-8-14-20(19)23(28)26(24(21)29)30-16-18-11-5-2-6-12-18/h1-14,29H,15-16H2,(H,25,27)
InChIKeyMVPZIJVNRPXQGF-UHFFFAOYSA-N
XLogP3.27
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-hydroxy-N-nonyl-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide
CID 137061374
N-benzyl-2,3-dihydroxy-1-oxoisoquinoline-4-carboxamide
CID 137064384
3-hydroxy-2-phenylmethoxy-4-(piperidine-1-carbonyl)isoquinolin-1-one
CID 137052482
2,3-dihydroxy-N-[(4-methoxyphenyl)methyl]-1-oxoisoquinoline-4-carboxamide
CID 137031826
2-[(4-aminooxy-2-oxo-1-phenylmethoxyquinoline-3-carbonyl)amino]acetic acid
CID 90269450
2-(benzylcarbamoyl)-3,6-dihydroxybenzoic acid
CID 139355426
N-benzyl-1-butyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54687815
N-benzyl-2-hydroxy-1-phenylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 14987229
1-N,2-N,3-N-tribenzylbenzene-1,2,3-tricarboxamide
CID 70015173
N-benzyl-4-[4-(benzylcarbamoyl)benzoyl]benzamide
CID 20598592
N-benzyl-2,5,6-trimethyl-3-oxopyridazine-4-carboxamide
CID 130158705
argon;1-oxo-2-phenylmethoxyisoquinoline-3-carbonyl chloride
CID 87854303

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide?
The IUPAC name of N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide (CID 137049892) is N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide.
What is the SMILES notation for N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide?
The canonical SMILES for N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide is O=C(NCc1ccccc1)c1c(O)n(OCc2ccccc2)c(=O)c2ccccc12.
What is the InChIKey of N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide?
The InChIKey is MVPZIJVNRPXQGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c27-22(25-15-17-9-3-1-4-10-17)21-19-13-7-8-14-20(19)23(28)26(24(21)29)30-16-18-11-5-2-6-12-18/h1-14,29H,15-16H2,(H,25,27).
What are the key properties of N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide?
N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide has a molecular weight of 400.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-hydroxy-1-oxo-2-phenylmethoxyisoquinoline-4-carboxamide is sourced from PubChem (CID 137049892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).