N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide

C21H24N4O4 — CID 155569679

IUPACN-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide
SMILESCOc1ccc(-c2cc(OCCCCCC(=O)NO)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C21H24N4O4/c1-14-17-10-16(15-7-8-20(28-2)22-12-15)11-18(21(17)24-13-23-14)29-9-5-3-4-6-19(26)25-27/h7-8,10-13,27H,3-6,9H2,1-2H3,(H,25,26)
InChIKeyBXRJVJRIKLUTJY-UHFFFAOYSA-N
MW396.45 g/mol
LogP3.45
Rot. Bonds9

About N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide

N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide (PubChem CID 155569679) has the molecular formula C21H24N4O4 and a molecular weight of 396.45 g/mol. Its IUPAC name is N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide.

Molecular Properties

Compound NameN-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide
PubChem CID155569679
Molecular FormulaC21H24N4O4
Molecular Weight396.45 g/mol
Exact Mass396.18
IUPAC NameN-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide
SMILESCOc1ccc(-c2cc(OCCCCCC(=O)NO)c3ncnc(C)c3c2)cn1
InChIInChI=1S/C21H24N4O4/c1-14-17-10-16(15-7-8-20(28-2)22-12-15)11-18(21(17)24-13-23-14)29-9-5-3-4-6-19(26)25-27/h7-8,10-13,27H,3-6,9H2,1-2H3,(H,25,26)
InChIKeyBXRJVJRIKLUTJY-UHFFFAOYSA-N
XLogP3.45
TPSA106.46 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.45
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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'}

Analyze N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide?
The IUPAC name of N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide (CID 155569679) is N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide.
What is the SMILES notation for N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide?
The canonical SMILES for N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide is COc1ccc(-c2cc(OCCCCCC(=O)NO)c3ncnc(C)c3c2)cn1.
What is the InChIKey of N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide?
The InChIKey is BXRJVJRIKLUTJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O4/c1-14-17-10-16(15-7-8-20(28-2)22-12-15)11-18(21(17)24-13-23-14)29-9-5-3-4-6-19(26)25-27/h7-8,10-13,27H,3-6,9H2,1-2H3,(H,25,26).
What are the key properties of N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide?
N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide has a molecular weight of 396.45 g/mol, XLogP of 3.45, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[6-(6-methoxy-3-pyridinyl)-4-methylquinazolin-8-yl]oxyhexanamide is sourced from PubChem (CID 155569679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).