2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide

C13H13N3O4 — CID 87337782

IUPAC2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
SMILESNC(=O)CCn1ccc2ccc(C(=O)NO)cc2c1=O
InChIInChI=1S/C13H13N3O4/c14-11(17)4-6-16-5-3-8-1-2-9(12(18)15-20)7-10(8)13(16)19/h1-3,5,7,20H,4,6H2,(H2,14,17)(H,15,18)
InChIKeyUPGQRTUZZWIHBN-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.00
Rot. Bonds4

About 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide

2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide (PubChem CID 87337782) has the molecular formula C13H13N3O4 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide.

Molecular Properties

Compound Name2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
PubChem CID87337782
Molecular FormulaC13H13N3O4
Molecular Weight275.26 g/mol
Exact Mass275.09
IUPAC Name2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide
SMILESNC(=O)CCn1ccc2ccc(C(=O)NO)cc2c1=O
InChIInChI=1S/C13H13N3O4/c14-11(17)4-6-16-5-3-8-1-2-9(12(18)15-20)7-10(8)13(16)19/h1-3,5,7,20H,4,6H2,(H2,14,17)(H,15,18)
InChIKeyUPGQRTUZZWIHBN-UHFFFAOYSA-N
XLogP-0.00
TPSA114.42 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.00
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The IUPAC name of 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide (CID 87337782) is 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide.
What is the SMILES notation for 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The canonical SMILES for 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide is NC(=O)CCn1ccc2ccc(C(=O)NO)cc2c1=O.
What is the InChIKey of 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
The InChIKey is UPGQRTUZZWIHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O4/c14-11(17)4-6-16-5-3-8-1-2-9(12(18)15-20)7-10(8)13(16)19/h1-3,5,7,20H,4,6H2,(H2,14,17)(H,15,18).
What are the key properties of 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide?
2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide has a molecular weight of 275.26 g/mol, XLogP of -0.00, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-3-oxopropyl)-N-hydroxy-1-oxoisoquinoline-7-carboxamide is sourced from PubChem (CID 87337782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).