7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide

C22H22FN5O3 — CID 166633405

IUPAC7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12)NO
InChIInChI=1S/C22H22FN5O3/c23-14-10-11-18-17(13-14)22(30)28-21(25-18)16-8-5-4-7-15(16)20(26-28)24-12-6-2-1-3-9-19(29)27-31/h4-5,7-8,10-11,13,31H,1-3,6,9,12H2,(H,24,26)(H,27,29)
InChIKeyNOPRTJIQQRZXCZ-UHFFFAOYSA-N
MW423.45 g/mol
LogP3.40
Rot. Bonds8

About 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide

7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide (PubChem CID 166633405) has the molecular formula C22H22FN5O3 and a molecular weight of 423.45 g/mol. Its IUPAC name is 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide
PubChem CID166633405
Molecular FormulaC22H22FN5O3
Molecular Weight423.45 g/mol
Exact Mass423.17
IUPAC Name7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide
SMILESO=C(CCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12)NO
InChIInChI=1S/C22H22FN5O3/c23-14-10-11-18-17(13-14)22(30)28-21(25-18)16-8-5-4-7-15(16)20(26-28)24-12-6-2-1-3-9-19(29)27-31/h4-5,7-8,10-11,13,31H,1-3,6,9,12H2,(H,24,26)(H,27,29)
InChIKeyNOPRTJIQQRZXCZ-UHFFFAOYSA-N
XLogP3.40
TPSA108.62 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.45
LogP ≤ 53.40
H-Bond Donors ≤ 53
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'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide?
The IUPAC name of 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide (CID 166633405) is 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide.
What is the SMILES notation for 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide?
The canonical SMILES for 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide is O=C(CCCCCCNc1nn2c(=O)c3cc(F)ccc3nc2c2ccccc12)NO.
What is the InChIKey of 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide?
The InChIKey is NOPRTJIQQRZXCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O3/c23-14-10-11-18-17(13-14)22(30)28-21(25-18)16-8-5-4-7-15(16)20(26-28)24-12-6-2-1-3-9-19(29)27-31/h4-5,7-8,10-11,13,31H,1-3,6,9,12H2,(H,24,26)(H,27,29).
What are the key properties of 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide?
7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide has a molecular weight of 423.45 g/mol, XLogP of 3.40, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(10-fluoro-8-oxoquinazolino[2,3-a]phthalazin-5-yl)amino]-N-hydroxyheptanamide is sourced from PubChem (CID 166633405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).