5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide

C26H25F2N5O6S — CID 155517457

IUPAC5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide
SMILESCOc1ncc(-c2cc(OCCCCC(=O)NO)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C26H25F2N5O6S/c1-15-19-9-16(11-22(25(19)31-14-30-15)39-8-4-3-5-24(34)32-35)17-10-21(26(38-2)29-13-17)33-40(36,37)23-7-6-18(27)12-20(23)28/h6-7,9-14,33,35H,3-5,8H2,1-2H3,(H,32,34)
InChIKeyZHVCBNVDQBAPFE-UHFFFAOYSA-N
MW573.58 g/mol
LogP4.14
Rot. Bonds11

About 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide

5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide (PubChem CID 155517457) has the molecular formula C26H25F2N5O6S and a molecular weight of 573.58 g/mol. Its IUPAC name is 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide.

Molecular Properties

Compound Name5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide
PubChem CID155517457
Molecular FormulaC26H25F2N5O6S
Molecular Weight573.58 g/mol
Exact Mass573.15
IUPAC Name5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide
SMILESCOc1ncc(-c2cc(OCCCCC(=O)NO)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F
InChIInChI=1S/C26H25F2N5O6S/c1-15-19-9-16(11-22(25(19)31-14-30-15)39-8-4-3-5-24(34)32-35)17-10-21(26(38-2)29-13-17)33-40(36,37)23-7-6-18(27)12-20(23)28/h6-7,9-14,33,35H,3-5,8H2,1-2H3,(H,32,34)
InChIKeyZHVCBNVDQBAPFE-UHFFFAOYSA-N
XLogP4.14
TPSA152.63 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500573.58
LogP ≤ 54.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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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Frequently Asked Questions

What is the IUPAC name of 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide?
The IUPAC name of 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide (CID 155517457) is 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide.
What is the SMILES notation for 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide?
The canonical SMILES for 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide is COc1ncc(-c2cc(OCCCCC(=O)NO)c3ncnc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1F.
What is the InChIKey of 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide?
The InChIKey is ZHVCBNVDQBAPFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F2N5O6S/c1-15-19-9-16(11-22(25(19)31-14-30-15)39-8-4-3-5-24(34)32-35)17-10-21(26(38-2)29-13-17)33-40(36,37)23-7-6-18(27)12-20(23)28/h6-7,9-14,33,35H,3-5,8H2,1-2H3,(H,32,34).
What are the key properties of 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide?
5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide has a molecular weight of 573.58 g/mol, XLogP of 4.14, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methylquinazolin-8-yl]oxy-N-hydroxypentanamide is sourced from PubChem (CID 155517457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).