N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide

C26H26FN5O5S — CID 135197560

IUPACN-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H26FN5O5S/c1-15-21-11-16(13-23(24(21)31-26(28)30-15)37-19-7-9-36-10-8-19)17-12-22(25(35-2)29-14-17)32-38(33,34)20-5-3-18(27)4-6-20/h3-6,11-14,19,32H,7-10H2,1-2H3,(H2,28,30,31)
InChIKeyCJBQWRITBDWUOS-UHFFFAOYSA-N
MW539.59 g/mol
LogP4.09
Rot. Bonds7

About N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide

N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide (PubChem CID 135197560) has the molecular formula C26H26FN5O5S and a molecular weight of 539.59 g/mol. Its IUPAC name is N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
PubChem CID135197560
Molecular FormulaC26H26FN5O5S
Molecular Weight539.59 g/mol
Exact Mass539.16
IUPAC NameN-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide
SMILESCOc1ncc(-c2cc(OC3CCOCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C26H26FN5O5S/c1-15-21-11-16(13-23(24(21)31-26(28)30-15)37-19-7-9-36-10-8-19)17-12-22(25(35-2)29-14-17)32-38(33,34)20-5-3-18(27)4-6-20/h3-6,11-14,19,32H,7-10H2,1-2H3,(H2,28,30,31)
InChIKeyCJBQWRITBDWUOS-UHFFFAOYSA-N
XLogP4.09
TPSA138.55 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500539.59
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide with MolForge

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Launch Full Analysis

Related Compounds

Linperlisib
CID 91754520
Example 59 [WO2018121550]
CID 135197617
2,4-difluoro-N-[2-methoxy-5-[4-[4-[(2-methylimidazol-1-yl)methyl]phenyl]quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 118352671
2,4-difluoro-N-[2-methoxy-5-(8-methoxy-4-methylquinazolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 135197572
2,4-difluoro-N-[2-methoxy-5-[4-methyl-2-(methylamino)-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197577
N-[5-[2-amino-4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197578
N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2-chloro-4-fluorobenzenesulfonamide
CID 135197583
N-[5-(2-amino-8-cyclobutyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197593
2,4-difluoro-N-[2-methoxy-5-[4-methyl-2-(methylamino)-8-[(3R)-oxolan-3-yl]oxyquinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197594
2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-ylmethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197611
2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(oxolan-3-ylmethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197613
N-[5-[8-(2,2-dimethyloxan-4-yl)oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197614

Frequently Asked Questions

What is the IUPAC name of N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide (CID 135197560) is N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide is COc1ncc(-c2cc(OC3CCOCC3)c3nc(N)nc(C)c3c2)cc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
The InChIKey is CJBQWRITBDWUOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN5O5S/c1-15-21-11-16(13-23(24(21)31-26(28)30-15)37-19-7-9-36-10-8-19)17-12-22(25(35-2)29-14-17)32-38(33,34)20-5-3-18(27)4-6-20/h3-6,11-14,19,32H,7-10H2,1-2H3,(H2,28,30,31).
What are the key properties of N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide?
N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide has a molecular weight of 539.59 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 135197560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).