N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

C25H21F3N4O4S — CID 23122754

IUPACN-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCOc2cc(COc3nc4ccncc4cc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C25H21F3N4O4S/c1-32-10-11-35-22-12-16(6-7-21(22)32)15-36-24-20(13-17-14-29-9-8-19(17)30-24)31-37(33,34)23-5-3-2-4-18(23)25(26,27)28/h2-9,12-14,31H,10-11,15H2,1H3
InChIKeyNQXNUBHAOXYJDQ-UHFFFAOYSA-N
MW530.53 g/mol
LogP4.86
Rot. Bonds6

About N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide

N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 23122754) has the molecular formula C25H21F3N4O4S and a molecular weight of 530.53 g/mol. Its IUPAC name is N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID23122754
Molecular FormulaC25H21F3N4O4S
Molecular Weight530.53 g/mol
Exact Mass530.12
IUPAC NameN-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide
SMILESCN1CCOc2cc(COc3nc4ccncc4cc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21
InChIInChI=1S/C25H21F3N4O4S/c1-32-10-11-35-22-12-16(6-7-21(22)32)15-36-24-20(13-17-14-29-9-8-19(17)30-24)31-37(33,34)23-5-3-2-4-18(23)25(26,27)28/h2-9,12-14,31H,10-11,15H2,1H3
InChIKeyNQXNUBHAOXYJDQ-UHFFFAOYSA-N
XLogP4.86
TPSA93.65 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.53
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide with MolForge

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Related Compounds

2,4-difluoro-N-[2-methoxy-5-(4-pyridin-4-ylquinolin-6-yl)-3-pyridinyl]benzenesulfonamide
CID 58441681
2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-ylmethoxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197611
N-[5-[8-(2,2-dimethyloxan-4-yl)oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197614
2,4-difluoro-N-[2-methoxy-5-[4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 135197621
N-[5-(2-amino-8-cyclohexyloxy-4-methylquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197630
N-[5-[2-amino-4-methyl-8-(oxan-4-ylmethoxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197639
N-[5-[2-amino-4-methyl-8-(oxan-4-yloxy)quinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197643
N-[5-[2-amino-8-(2,2-dimethyloxan-4-yl)oxy-4-methylquinazolin-6-yl]-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197682
N-[5-(2-amino-4-methyl-8-propan-2-yloxyquinazolin-6-yl)-2-methoxy-3-pyridinyl]-2,4-difluorobenzenesulfonamide
CID 135197693
N-[6-[5-[(2,4-difluorophenyl)sulfonylamino]-6-methoxy-3-pyridinyl]-4-methoxyquinolin-3-yl]-2-morpholin-4-ylacetamide
CID 137647250
N-[3-fluoro-4-[6-[3-(4-methylpiperazin-1-yl)propoxy]quinolin-4-yl]oxyphenyl]-2-(trifluoromethyl)benzenesulfonamide
CID 67071376
2,4-difluoro-N-[2-methoxy-5-[4-(3-morpholin-4-ylprop-1-ynyl)quinolin-6-yl]-3-pyridinyl]benzenesulfonamide
CID 73052343

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide (CID 23122754) is N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is CN1CCOc2cc(COc3nc4ccncc4cc3NS(=O)(=O)c3ccccc3C(F)(F)F)ccc21.
What is the InChIKey of N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is NQXNUBHAOXYJDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O4S/c1-32-10-11-35-22-12-16(6-7-21(22)32)15-36-24-20(13-17-14-29-9-8-19(17)30-24)31-37(33,34)23-5-3-2-4-18(23)25(26,27)28/h2-9,12-14,31H,10-11,15H2,1H3.
What are the key properties of N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide?
N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 530.53 g/mol, XLogP of 4.86, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methyl-2,3-dihydro-1,4-benzoxazin-7-yl)methoxy]-1,6-naphthyridin-3-yl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 23122754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).