N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

C26H24N2O3 — CID 72680168

IUPACN-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCc1ccc(C=C(C(=O)N2CCc3ccc(C(=O)NO)cc3C2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O3/c1-18-7-9-19(10-8-18)15-24(21-5-3-2-4-6-21)26(30)28-14-13-20-11-12-22(25(29)27-31)16-23(20)17-28/h2-12,15-16,31H,13-14,17H2,1H3,(H,27,29)
InChIKeyWCPUMURXCGFYIU-UHFFFAOYSA-N
MW412.49 g/mol
LogP4.24
Rot. Bonds4

About N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide

N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 72680168) has the molecular formula C26H24N2O3 and a molecular weight of 412.49 g/mol. Its IUPAC name is N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID72680168
Molecular FormulaC26H24N2O3
Molecular Weight412.49 g/mol
Exact Mass412.18
IUPAC NameN-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESCc1ccc(C=C(C(=O)N2CCc3ccc(C(=O)NO)cc3C2)c2ccccc2)cc1
InChIInChI=1S/C26H24N2O3/c1-18-7-9-19(10-8-18)15-24(21-5-3-2-4-6-21)26(30)28-14-13-20-11-12-22(25(29)27-31)16-23(20)17-28/h2-12,15-16,31H,13-14,17H2,1H3,(H,27,29)
InChIKeyWCPUMURXCGFYIU-UHFFFAOYSA-N
XLogP4.24
TPSA69.64 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.49
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

Analyze N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-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

2-[3-(3-fluorophenyl)-2-phenylprop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 72680244
N-hydroxy-2-[3-phenyl-2-[4-(trifluoromethyl)phenyl]prop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 123238274
2-[2-(2-chlorophenyl)-3-(4-methoxyphenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 123253420
5-[(Z)-2,3-diphenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 88923075
5-[3-(3-fluorophenyl)-2-(4-methylphenyl)prop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-thieno[3,2-c]pyridine-2-carboxamide
CID 72680323
2-[(Z)-2-(4-fluorophenyl)-3-(3-nitrophenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 88923110
2-[(E)-3-(2,4-dimethoxyphenyl)-2-(4-fluorophenyl)prop-2-enoyl]-N-hydroxy-3,4-dihydro-1H-isoquinoline-7-carboxamide
CID 71454842
5-[2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-furo[3,2-c]pyridine-2-carboxamide
CID 88923051
4-[3-(3,4-dihydro-1H-isoquinolin-2-yl)-3-oxoprop-1-enyl]-N-hydroxybenzamide
CID 142672640
2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide
CID 122439160
N-hydroxy-2-[2-(4-methylphenyl)propanoyl]-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 58147133
5-[(Z)-2-(4-fluorophenyl)-3-phenylprop-2-enoyl]-N-hydroxy-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridine-3-carboxamide
CID 88923055

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 72680168) is N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide is Cc1ccc(C=C(C(=O)N2CCc3ccc(C(=O)NO)cc3C2)c2ccccc2)cc1.
What is the InChIKey of N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is WCPUMURXCGFYIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N2O3/c1-18-7-9-19(10-8-18)15-24(21-5-3-2-4-6-21)26(30)28-14-13-20-11-12-22(25(29)27-31)16-23(20)17-28/h2-12,15-16,31H,13-14,17H2,1H3,(H,27,29).
What are the key properties of N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide?
N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 412.49 g/mol, XLogP of 4.24, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[3-(4-methylphenyl)-2-phenylprop-2-enoyl]-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 72680168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).