7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide

C22H25FN4O4 — CID 127028038

IUPAC7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
SMILESCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C22H25FN4O4/c1-30-19-13-18-15(12-20(19)31-11-7-3-2-4-10-21(28)27-29)22(25-14-24-18)26-17-9-6-5-8-16(17)23/h5-6,8-9,12-14,29H,2-4,7,10-11H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyRUWHLQBDDYKVNU-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.36
Rot. Bonds11

About 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide

7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide (PubChem CID 127028038) has the molecular formula C22H25FN4O4 and a molecular weight of 428.46 g/mol. Its IUPAC name is 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
PubChem CID127028038
Molecular FormulaC22H25FN4O4
Molecular Weight428.46 g/mol
Exact Mass428.19
IUPAC Name7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
SMILESCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C22H25FN4O4/c1-30-19-13-18-15(12-20(19)31-11-7-3-2-4-10-21(28)27-29)22(25-14-24-18)26-17-9-6-5-8-16(17)23/h5-6,8-9,12-14,29H,2-4,7,10-11H2,1H3,(H,27,28)(H,24,25,26)
InChIKeyRUWHLQBDDYKVNU-UHFFFAOYSA-N
XLogP4.36
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.36
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'}

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Related Compounds

6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
CID 127028037
5-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxypentanamide
CID 122195527
5-[4-(4-bromo-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxypentanamide;ethane
CID 145016655
4-[4-(3-chloroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxybutanamide
CID 122195526
3-[4-(2-fluoro-4-methylanilino)-6-methoxyquinazolin-7-yl]oxypropanamide
CID 130310905
2,3-dihydroxybutanedioic acid;7-[4-(3-ethynylanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 25225113
N-(4-bromo-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10906322
7-[4-[2-fluoro-4-methyl-3-(2-methylprop-1-enyl)anilino]-6-methoxyquinazolin-7-yl]oxyheptanamide
CID 143778160
N-(4-bromo-2-fluorophenyl)-7-butoxy-6-methoxyquinazolin-4-amine;N,N-dimethylmethanamine
CID 157222571
7-[4-(3-chloro-4-fluoroanilino)-6-methoxyquinazolin-7-yl]oxy-1-hydroxyheptan-2-one
CID 58172592
ethyl 4-[4-(4-chloro-2-fluoroanilino)-6-methoxyquinazolin-7-yl]oxybutanoate
CID 22478301
N-(4-chloro-2-fluorophenyl)-7-(3-chloropropoxy)-6-methoxyquinazolin-4-amine
CID 10982156

Frequently Asked Questions

What is the IUPAC name of 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide?
The IUPAC name of 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide (CID 127028038) is 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide is COc1cc2ncnc(Nc3ccccc3F)c2cc1OCCCCCCC(=O)NO.
What is the InChIKey of 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide?
The InChIKey is RUWHLQBDDYKVNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25FN4O4/c1-30-19-13-18-15(12-20(19)31-11-7-3-2-4-10-21(28)27-29)22(25-14-24-18)26-17-9-6-5-8-16(17)23/h5-6,8-9,12-14,29H,2-4,7,10-11H2,1H3,(H,27,28)(H,24,25,26).
What are the key properties of 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide?
7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide has a molecular weight of 428.46 g/mol, XLogP of 4.36, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide is sourced from PubChem (CID 127028038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).