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

C22H30N6O2 — CID 45139428

IUPACN-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(=O)N(O)C2CCCCC2)c2c1-c1nc(NC3CCCC3)ncc1CC2
InChIInChI=1S/C22H30N6O2/c1-27-20-17(19(26-27)21(29)28(30)16-9-3-2-4-10-16)12-11-14-13-23-22(25-18(14)20)24-15-7-5-6-8-15/h13,15-16,30H,2-12H2,1H3,(H,23,24,25)
InChIKeyALXPUKLGPACDFZ-UHFFFAOYSA-N
MW410.52 g/mol
LogP3.49
Rot. Bonds4

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

N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (PubChem CID 45139428) has the molecular formula C22H30N6O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
PubChem CID45139428
Molecular FormulaC22H30N6O2
Molecular Weight410.52 g/mol
Exact Mass410.24
IUPAC NameN-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
SMILESCn1nc(C(=O)N(O)C2CCCCC2)c2c1-c1nc(NC3CCCC3)ncc1CC2
InChIInChI=1S/C22H30N6O2/c1-27-20-17(19(26-27)21(29)28(30)16-9-3-2-4-10-16)12-11-14-13-23-22(25-18(14)20)24-15-7-5-6-8-15/h13,15-16,30H,2-12H2,1H3,(H,23,24,25)
InChIKeyALXPUKLGPACDFZ-UHFFFAOYSA-N
XLogP3.49
TPSA96.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 53.49
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 N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The IUPAC name of N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide (CID 45139428) is N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The canonical SMILES for N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is Cn1nc(C(=O)N(O)C2CCCCC2)c2c1-c1nc(NC3CCCC3)ncc1CC2.
What is the InChIKey of N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
The InChIKey is ALXPUKLGPACDFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N6O2/c1-27-20-17(19(26-27)21(29)28(30)16-9-3-2-4-10-16)12-11-14-13-23-22(25-18(14)20)24-15-7-5-6-8-15/h13,15-16,30H,2-12H2,1H3,(H,23,24,25).
What are the key properties of N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide?
N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-8-(cyclopentylamino)-N-hydroxy-1-methyl-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide is sourced from PubChem (CID 45139428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).