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

C21H23FN4O4 — CID 127028037

IUPAC6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
SMILESCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCCCCCC(=O)NO
InChIInChI=1S/C21H23FN4O4/c1-29-18-12-17-14(11-19(18)30-10-6-2-3-9-20(27)26-28)21(24-13-23-17)25-16-8-5-4-7-15(16)22/h4-5,7-8,11-13,28H,2-3,6,9-10H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyWOTTWZMEGNRKBY-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.97
Rot. Bonds10

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

6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide (PubChem CID 127028037) has the molecular formula C21H23FN4O4 and a molecular weight of 414.44 g/mol. Its IUPAC name is 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide.

Molecular Properties

Compound Name6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
PubChem CID127028037
Molecular FormulaC21H23FN4O4
Molecular Weight414.44 g/mol
Exact Mass414.17
IUPAC Name6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide
SMILESCOc1cc2ncnc(Nc3ccccc3F)c2cc1OCCCCCC(=O)NO
InChIInChI=1S/C21H23FN4O4/c1-29-18-12-17-14(11-19(18)30-10-6-2-3-9-20(27)26-28)21(24-13-23-17)25-16-8-5-4-7-15(16)22/h4-5,7-8,11-13,28H,2-3,6,9-10H2,1H3,(H,26,27)(H,23,24,25)
InChIKeyWOTTWZMEGNRKBY-UHFFFAOYSA-N
XLogP3.97
TPSA105.60 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.97
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

7-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
CID 127028038
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 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide?
The IUPAC name of 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide (CID 127028037) is 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide.
What is the SMILES notation for 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide?
The canonical SMILES for 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide is COc1cc2ncnc(Nc3ccccc3F)c2cc1OCCCCCC(=O)NO.
What is the InChIKey of 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide?
The InChIKey is WOTTWZMEGNRKBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O4/c1-29-18-12-17-14(11-19(18)30-10-6-2-3-9-20(27)26-28)21(24-13-23-17)25-16-8-5-4-7-15(16)22/h4-5,7-8,11-13,28H,2-3,6,9-10H2,1H3,(H,26,27)(H,23,24,25).
What are the key properties of 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide?
6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide has a molecular weight of 414.44 g/mol, XLogP of 3.97, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-fluoroanilino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyhexanamide is sourced from PubChem (CID 127028037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).