N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide

C19H20FN5O5S — CID 122502494

IUPACN-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(O)cc(F)cc23)cc1NS(C)(=O)=O
InChIInChI=1S/C19H20FN5O5S/c1-29-18-14(24-31(2,27)28)7-11(10-21-18)16-13-8-12(20)9-15(26)17(13)23-19(22-16)25-3-5-30-6-4-25/h7-10,24,26H,3-6H2,1-2H3
InChIKeyXQMXPYAKLGKNIQ-UHFFFAOYSA-N
MW449.46 g/mol
LogP1.75
Rot. Bonds5

About N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide

N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide (PubChem CID 122502494) has the molecular formula C19H20FN5O5S and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
PubChem CID122502494
Molecular FormulaC19H20FN5O5S
Molecular Weight449.46 g/mol
Exact Mass449.12
IUPAC NameN-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide
SMILESCOc1ncc(-c2nc(N3CCOCC3)nc3c(O)cc(F)cc23)cc1NS(C)(=O)=O
InChIInChI=1S/C19H20FN5O5S/c1-29-18-14(24-31(2,27)28)7-11(10-21-18)16-13-8-12(20)9-15(26)17(13)23-19(22-16)25-3-5-30-6-4-25/h7-10,24,26H,3-6H2,1-2H3
InChIKeyXQMXPYAKLGKNIQ-UHFFFAOYSA-N
XLogP1.75
TPSA126.77 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide (CID 122502494) is N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide is COc1ncc(-c2nc(N3CCOCC3)nc3c(O)cc(F)cc23)cc1NS(C)(=O)=O.
What is the InChIKey of N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
The InChIKey is XQMXPYAKLGKNIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O5S/c1-29-18-14(24-31(2,27)28)7-11(10-21-18)16-13-8-12(20)9-15(26)17(13)23-19(22-16)25-3-5-30-6-4-25/h7-10,24,26H,3-6H2,1-2H3.
What are the key properties of N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide?
N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide has a molecular weight of 449.46 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(6-fluoro-8-hydroxy-2-morpholin-4-ylquinazolin-4-yl)-2-methoxy-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 122502494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).