8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

C17H22N6O2 — CID 45139427

IUPAC8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN(O)C(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C17H22N6O2/c1-22-15-12(14(21-22)16(24)23(2)25)8-7-10-9-18-17(20-13(10)15)19-11-5-3-4-6-11/h9,11,25H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyGMMJFFFHKSLXFV-UHFFFAOYSA-N
MW342.40 g/mol
LogP1.79
Rot. Bonds3

About 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide

8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45139427) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound Name8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45139427
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC Name8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCN(O)C(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2
InChIInChI=1S/C17H22N6O2/c1-22-15-12(14(21-22)16(24)23(2)25)8-7-10-9-18-17(20-13(10)15)19-11-5-3-4-6-11/h9,11,25H,3-8H2,1-2H3,(H,18,19,20)
InChIKeyGMMJFFFHKSLXFV-UHFFFAOYSA-N
XLogP1.79
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45139427) is 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is CN(O)C(=O)c1nn(C)c2c1CCc1cnc(NC3CCCC3)nc1-2.
What is the InChIKey of 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is GMMJFFFHKSLXFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6O2/c1-22-15-12(14(21-22)16(24)23(2)25)8-7-10-9-18-17(20-13(10)15)19-11-5-3-4-6-11/h9,11,25H,3-8H2,1-2H3,(H,18,19,20).
What are the key properties of 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.79, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(cyclopentylamino)-N-hydroxy-N,1-dimethyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45139427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).