N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide

C21H24N4O3 — CID 122550293

IUPACN-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
SMILESCc1nc(N(C)c2cccc(OCCCCC(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C21H24N4O3/c1-15-22-19-11-4-3-10-18(19)21(23-15)25(2)16-8-7-9-17(14-16)28-13-6-5-12-20(26)24-27/h3-4,7-11,14,27H,5-6,12-13H2,1-2H3,(H,24,26)
InChIKeyVAVRSOISHAFQEV-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.76
Rot. Bonds8

About N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide

N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide (PubChem CID 122550293) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide.

Molecular Properties

Compound NameN-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
PubChem CID122550293
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide
SMILESCc1nc(N(C)c2cccc(OCCCCC(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C21H24N4O3/c1-15-22-19-11-4-3-10-18(19)21(23-15)25(2)16-8-7-9-17(14-16)28-13-6-5-12-20(26)24-27/h3-4,7-11,14,27H,5-6,12-13H2,1-2H3,(H,24,26)
InChIKeyVAVRSOISHAFQEV-UHFFFAOYSA-N
XLogP3.76
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
The IUPAC name of N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide (CID 122550293) is N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide.
What is the SMILES notation for N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
The canonical SMILES for N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide is Cc1nc(N(C)c2cccc(OCCCCC(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
The InChIKey is VAVRSOISHAFQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-15-22-19-11-4-3-10-18(19)21(23-15)25(2)16-8-7-9-17(14-16)28-13-6-5-12-20(26)24-27/h3-4,7-11,14,27H,5-6,12-13H2,1-2H3,(H,24,26).
What are the key properties of N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide?
N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide has a molecular weight of 380.45 g/mol, XLogP of 3.76, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-5-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]pentanamide is sourced from PubChem (CID 122550293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).