7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide

C15H19FN4O2 — CID 72545684

IUPAC7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCNc1ncnc2ccc(F)cc12)NO
InChIInChI=1S/C15H19FN4O2/c16-11-6-7-13-12(9-11)15(19-10-18-13)17-8-4-2-1-3-5-14(21)20-22/h6-7,9-10,22H,1-5,8H2,(H,20,21)(H,17,18,19)
InChIKeyFMRRKIJLNAMNDY-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.64
Rot. Bonds8

About 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide

7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide (PubChem CID 72545684) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide
PubChem CID72545684
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCNc1ncnc2ccc(F)cc12)NO
InChIInChI=1S/C15H19FN4O2/c16-11-6-7-13-12(9-11)15(19-10-18-13)17-8-4-2-1-3-5-14(21)20-22/h6-7,9-10,22H,1-5,8H2,(H,20,21)(H,17,18,19)
InChIKeyFMRRKIJLNAMNDY-UHFFFAOYSA-N
XLogP2.64
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide 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 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide (CID 72545684) is 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide is O=C(CCCCCCNc1ncnc2ccc(F)cc12)NO.
What is the InChIKey of 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide?
The InChIKey is FMRRKIJLNAMNDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c16-11-6-7-13-12(9-11)15(19-10-18-13)17-8-4-2-1-3-5-14(21)20-22/h6-7,9-10,22H,1-5,8H2,(H,20,21)(H,17,18,19).
What are the key properties of 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide?
7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide has a molecular weight of 306.34 g/mol, XLogP of 2.64, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6-fluoroquinazolin-4-yl)amino]-N-hydroxyheptanamide is sourced from PubChem (CID 72545684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).