7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide

C24H26N4O5 — CID 25226957

IUPAC7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
SMILESCOc1cc2ncnc(Nc3ccc4occc4c3)c2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C24H26N4O5/c1-31-21-14-19-18(13-22(21)32-10-5-3-2-4-6-23(29)28-30)24(26-15-25-19)27-17-7-8-20-16(12-17)9-11-33-20/h7-9,11-15,30H,2-6,10H2,1H3,(H,28,29)(H,25,26,27)
InChIKeyQYYFORULOXHXTL-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.96
Rot. Bonds11

About 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide

7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide (PubChem CID 25226957) has the molecular formula C24H26N4O5 and a molecular weight of 450.50 g/mol. Its IUPAC name is 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide.

Molecular Properties

Compound Name7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
PubChem CID25226957
Molecular FormulaC24H26N4O5
Molecular Weight450.50 g/mol
Exact Mass450.19
IUPAC Name7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide
SMILESCOc1cc2ncnc(Nc3ccc4occc4c3)c2cc1OCCCCCCC(=O)NO
InChIInChI=1S/C24H26N4O5/c1-31-21-14-19-18(13-22(21)32-10-5-3-2-4-6-23(29)28-30)24(26-15-25-19)27-17-7-8-20-16(12-17)9-11-33-20/h7-9,11-15,30H,2-6,10H2,1H3,(H,28,29)(H,25,26,27)
InChIKeyQYYFORULOXHXTL-UHFFFAOYSA-N
XLogP4.96
TPSA118.74 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.96
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'}

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Related Compounds

Cudc-101
CID 24756910
4-(4-(N-benzoylamino)anilino)-6-methoxy-7-(3-(1-morpholino)propoxy)quinazoline
CID 9914412
Indoline derivative 10
CID 86281829
N-(1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330176
N-(5-chloro-1-benzofuran-4-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine dihydrochloride
CID 5330178
N-(1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330179
N-(6-chloro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330180
N-(3-chloro-1-benzofuran-7-yl)-6-methoxy-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330182
Aurora Kinase Inhibitor II
CID 6610278
Ethyl 4-[(4-amino-6,7-dimethoxyquinazolin-2-yl)amino]benzoate
CID 15989993
[(4-{[4-(Benzoylamino)phenyl]amino}-6-Methoxyquinazolin-7-Yl)oxy]acetic Acid
CID 78673832
Benzo[c][2,7]naphthyridine, 15
CID 44236917

Frequently Asked Questions

What is the IUPAC name of 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide?
The IUPAC name of 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide (CID 25226957) is 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide.
What is the SMILES notation for 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide?
The canonical SMILES for 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide is COc1cc2ncnc(Nc3ccc4occc4c3)c2cc1OCCCCCCC(=O)NO.
What is the InChIKey of 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide?
The InChIKey is QYYFORULOXHXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N4O5/c1-31-21-14-19-18(13-22(21)32-10-5-3-2-4-6-23(29)28-30)24(26-15-25-19)27-17-7-8-20-16(12-17)9-11-33-20/h7-9,11-15,30H,2-6,10H2,1H3,(H,28,29)(H,25,26,27).
What are the key properties of 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide?
7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide has a molecular weight of 450.50 g/mol, XLogP of 4.96, 11 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-(1-benzofuran-5-ylamino)-7-methoxyquinazolin-6-yl]oxy-N-hydroxyheptanamide is sourced from PubChem (CID 25226957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).