N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

C20H18N4O3 — CID 11516054

IUPACN-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2
InChIInChI=1S/C20H18N4O3/c25-19(22-27)16-2-1-14-7-9-23(12-17(14)11-16)20(26)15-3-5-18(6-4-15)24-10-8-21-13-24/h1-6,8,10-11,13,27H,7,9,12H2,(H,22,25)
InChIKeyVLFHNZZCURZWMK-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.19
Rot. Bonds3

About N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide

N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (PubChem CID 11516054) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.

Molecular Properties

Compound NameN-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
PubChem CID11516054
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide
SMILESO=C(NO)c1ccc2c(c1)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2
InChIInChI=1S/C20H18N4O3/c25-19(22-27)16-2-1-14-7-9-23(12-17(14)11-16)20(26)15-3-5-18(6-4-15)24-10-8-21-13-24/h1-6,8,10-11,13,27H,7,9,12H2,(H,22,25)
InChIKeyVLFHNZZCURZWMK-UHFFFAOYSA-N
XLogP2.19
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

azetidin-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 166196826
azepan-1-yl-(4-imidazol-1-ylphenyl)methanone
CID 110464231
(7-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 84592390
3,4-dihydro-1H-isoquinolin-2-yl-(2-imidazol-1-yl-4-pyridinyl)methanone
CID 51085833
1-(3,5-dimethylphenyl)-4-(4-imidazol-1-ylbenzoyl)piperazin-2-one
CID 70769002
2-benzoyl-N-hydroxy-5-methyl-1,3,4,6-tetrahydro-2,5-benzodiazocine-8-carboxamide
CID 122439160
(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-(6-imidazol-1-yl-3-pyridinyl)methanone
CID 38210690
[7-(6-amino-3-pyridinyl)-3,5-dihydro-2H-1,4-benzoxazepin-4-yl]-(4-imidazol-1-ylphenyl)methanone
CID 59604991
N-[[7-(4-imidazol-1-ylbenzoyl)-3-methyl-6,8-dihydro-5H-2,7-naphthyridin-4-yl]methyl]-5-methylthiophene-2-carboxamide
CID 42479714
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-phenylmethanone
CID 28707219
(4-imidazol-1-ylphenyl)-[3-(methylamino)piperidin-1-yl]methanone
CID 119490395
(7-amino-3,4-dihydro-1H-isoquinolin-2-yl)-(4-tert-butylphenyl)methanone
CID 28707230

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The IUPAC name of N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide (CID 11516054) is N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide.
What is the SMILES notation for N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The canonical SMILES for N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is O=C(NO)c1ccc2c(c1)CN(C(=O)c1ccc(-n3ccnc3)cc1)CC2.
What is the InChIKey of N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
The InChIKey is VLFHNZZCURZWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c25-19(22-27)16-2-1-14-7-9-23(12-17(14)11-16)20(26)15-3-5-18(6-4-15)24-10-8-21-13-24/h1-6,8,10-11,13,27H,7,9,12H2,(H,22,25).
What are the key properties of N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide?
N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-(4-imidazol-1-ylbenzoyl)-3,4-dihydro-1H-isoquinoline-7-carboxamide is sourced from PubChem (CID 11516054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).