N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

C20H22N2O4 — CID 59158679

IUPACN-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(CCC(=O)NO)cc3C2)cc1
InChIInChI=1S/C20H22N2O4/c1-26-18-7-5-16(6-8-18)20(24)22-11-10-15-4-2-14(12-17(15)13-22)3-9-19(23)21-25/h2,4-8,12,25H,3,9-11,13H2,1H3,(H,21,23)
InChIKeyLTZNBIVSFBLNMV-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.33
Rot. Bonds5

About N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide

N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide (PubChem CID 59158679) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide.

Molecular Properties

Compound NameN-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
PubChem CID59158679
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide
SMILESCOc1ccc(C(=O)N2CCc3ccc(CCC(=O)NO)cc3C2)cc1
InChIInChI=1S/C20H22N2O4/c1-26-18-7-5-16(6-8-18)20(24)22-11-10-15-4-2-14(12-17(15)13-22)3-9-19(23)21-25/h2,4-8,12,25H,3,9-11,13H2,1H3,(H,21,23)
InChIKeyLTZNBIVSFBLNMV-UHFFFAOYSA-N
XLogP2.33
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(furan-2-carbonyl)-3,4-dihydro-1H-isoquinolin-7-yl]-3-(4-methoxyphenyl)propanamide
CID 16943212
(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(4-methylphenyl)methanone
CID 110726069
(3,5-dimethoxyphenyl)-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110726076
(7-ethyl-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 168898310
[4-(aminomethyl)phenyl]-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 119266159
1-[2-(4-methoxybenzoyl)-1,3,4,5-tetrahydro-2-benzazepin-7-yl]ethanone
CID 90881725
3-(4-methoxyphenyl)-N-[4-(piperidine-1-carbonyl)phenyl]propanamide
CID 17148804
4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-N-(4-methoxyphenyl)benzamide
CID 109047927
N-hydroxy-6-(4-methoxybenzoyl)-7,8-dihydro-5H-1,6-naphthyridine-3-carboxamide
CID 56847164
[7-(hydroxymethyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-methoxyphenyl)methanone
CID 144692530
1-[4-(4-methoxybenzoyl)piperazin-1-yl]-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butane-1,4-dione
CID 38321798
3-[2-(2,5-dimethylbenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanoic acid
CID 142408143

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The IUPAC name of N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide (CID 59158679) is N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide.
What is the SMILES notation for N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The canonical SMILES for N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide is COc1ccc(C(=O)N2CCc3ccc(CCC(=O)NO)cc3C2)cc1.
What is the InChIKey of N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
The InChIKey is LTZNBIVSFBLNMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-26-18-7-5-16(6-8-18)20(24)22-11-10-15-4-2-14(12-17(15)13-22)3-9-19(23)21-25/h2,4-8,12,25H,3,9-11,13H2,1H3,(H,21,23).
What are the key properties of N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide?
N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide has a molecular weight of 354.41 g/mol, XLogP of 2.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-[2-(4-methoxybenzoyl)-3,4-dihydro-1H-isoquinolin-7-yl]propanamide is sourced from PubChem (CID 59158679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).