N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide

C22H26N4O3 — CID 122550251

IUPACN-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide
SMILESCc1nc(N(C)c2cccc(OCCCCCC(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C22H26N4O3/c1-16-23-20-12-6-5-11-19(20)22(24-16)26(2)17-9-8-10-18(15-17)29-14-7-3-4-13-21(27)25-28/h5-6,8-12,15,28H,3-4,7,13-14H2,1-2H3,(H,25,27)
InChIKeyOGZRMDYDYUYDBD-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.15
Rot. Bonds9

About N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide

N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide (PubChem CID 122550251) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide
PubChem CID122550251
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide
SMILESCc1nc(N(C)c2cccc(OCCCCCC(=O)NO)c2)c2ccccc2n1
InChIInChI=1S/C22H26N4O3/c1-16-23-20-12-6-5-11-19(20)22(24-16)26(2)17-9-8-10-18(15-17)29-14-7-3-4-13-21(27)25-28/h5-6,8-12,15,28H,3-4,7,13-14H2,1-2H3,(H,25,27)
InChIKeyOGZRMDYDYUYDBD-UHFFFAOYSA-N
XLogP4.15
TPSA87.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.15
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-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide?
The IUPAC name of N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide (CID 122550251) is N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide.
What is the SMILES notation for N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide?
The canonical SMILES for N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide is Cc1nc(N(C)c2cccc(OCCCCCC(=O)NO)c2)c2ccccc2n1.
What is the InChIKey of N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide?
The InChIKey is OGZRMDYDYUYDBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-16-23-20-12-6-5-11-19(20)22(24-16)26(2)17-9-8-10-18(15-17)29-14-7-3-4-13-21(27)25-28/h5-6,8-12,15,28H,3-4,7,13-14H2,1-2H3,(H,25,27).
What are the key properties of N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide?
N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide has a molecular weight of 394.48 g/mol, XLogP of 4.15, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[3-[methyl-(2-methylquinazolin-4-yl)amino]phenoxy]hexanamide is sourced from PubChem (CID 122550251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).