N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide

C22H23N3O4 — CID 87413205

IUPACN-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide
SMILESO=C(NO)c1ccc2ncn(C3(CCOc4ccccc4)CCCC3)c(=O)c2c1
InChIInChI=1S/C22H23N3O4/c26-20(24-28)16-8-9-19-18(14-16)21(27)25(15-23-19)22(10-4-5-11-22)12-13-29-17-6-2-1-3-7-17/h1-3,6-9,14-15,28H,4-5,10-13H2,(H,24,26)
InChIKeyHKENBMHFUXAEFQ-UHFFFAOYSA-N
MW393.44 g/mol
LogP3.25
Rot. Bonds6

About N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide

N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide (PubChem CID 87413205) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide
PubChem CID87413205
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide
SMILESO=C(NO)c1ccc2ncn(C3(CCOc4ccccc4)CCCC3)c(=O)c2c1
InChIInChI=1S/C22H23N3O4/c26-20(24-28)16-8-9-19-18(14-16)21(27)25(15-23-19)22(10-4-5-11-22)12-13-29-17-6-2-1-3-7-17/h1-3,6-9,14-15,28H,4-5,10-13H2,(H,24,26)
InChIKeyHKENBMHFUXAEFQ-UHFFFAOYSA-N
XLogP3.25
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide?
The IUPAC name of N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide (CID 87413205) is N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide.
What is the SMILES notation for N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide?
The canonical SMILES for N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide is O=C(NO)c1ccc2ncn(C3(CCOc4ccccc4)CCCC3)c(=O)c2c1.
What is the InChIKey of N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide?
The InChIKey is HKENBMHFUXAEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c26-20(24-28)16-8-9-19-18(14-16)21(27)25(15-23-19)22(10-4-5-11-22)12-13-29-17-6-2-1-3-7-17/h1-3,6-9,14-15,28H,4-5,10-13H2,(H,24,26).
What are the key properties of N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide?
N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide has a molecular weight of 393.44 g/mol, XLogP of 3.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-oxo-3-[1-(2-phenoxyethyl)cyclopentyl]quinazoline-6-carboxamide is sourced from PubChem (CID 87413205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).