7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide

C23H23ClFN7O2 — CID 134156011

IUPAC7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide
SMILESO=C(CCCCCCn1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)nn1)NO
InChIInChI=1S/C23H23ClFN7O2/c24-18-12-16(7-8-19(18)25)28-23-17-11-15(6-9-20(17)26-14-27-23)21-13-32(31-29-21)10-4-2-1-3-5-22(33)30-34/h6-9,11-14,34H,1-5,10H2,(H,30,33)(H,26,27,28)
InChIKeyUIXUAKVMQUZXGY-UHFFFAOYSA-N
MW483.94 g/mol
LogP4.88
Rot. Bonds10

About 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide

7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide (PubChem CID 134156011) has the molecular formula C23H23ClFN7O2 and a molecular weight of 483.94 g/mol. Its IUPAC name is 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide
PubChem CID134156011
Molecular FormulaC23H23ClFN7O2
Molecular Weight483.94 g/mol
Exact Mass483.16
IUPAC Name7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide
SMILESO=C(CCCCCCn1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)nn1)NO
InChIInChI=1S/C23H23ClFN7O2/c24-18-12-16(7-8-19(18)25)28-23-17-11-15(6-9-20(17)26-14-27-23)21-13-32(31-29-21)10-4-2-1-3-5-22(33)30-34/h6-9,11-14,34H,1-5,10H2,(H,30,33)(H,26,27,28)
InChIKeyUIXUAKVMQUZXGY-UHFFFAOYSA-N
XLogP4.88
TPSA117.85 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.94
LogP ≤ 54.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-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-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide?
The IUPAC name of 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide (CID 134156011) is 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide is O=C(CCCCCCn1cc(-c2ccc3ncnc(Nc4ccc(F)c(Cl)c4)c3c2)nn1)NO.
What is the InChIKey of 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide?
The InChIKey is UIXUAKVMQUZXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClFN7O2/c24-18-12-16(7-8-19(18)25)28-23-17-11-15(6-9-20(17)26-14-27-23)21-13-32(31-29-21)10-4-2-1-3-5-22(33)30-34/h6-9,11-14,34H,1-5,10H2,(H,30,33)(H,26,27,28).
What are the key properties of 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide?
7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide has a molecular weight of 483.94 g/mol, XLogP of 4.88, 10 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[4-(3-chloro-4-fluoroanilino)quinazolin-6-yl]triazol-1-yl]-N-hydroxyheptanamide is sourced from PubChem (CID 134156011), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).