N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide

C42H41N11O6S — CID 157203649

IUPACN-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4N4CCN(C)CC4)ncc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(S(C)(=O)=O)ncc3c2)ccn1
InChIInChI=1S/C26H27N7O2.C16H14N4O4S/c1-27-25(34)23-16-20(9-10-28-23)35-19-7-8-21-18(15-19)17-29-26(30-21)31-22-5-3-4-6-24(22)33-13-11-32(2)12-14-33;1-17-15(21)14-8-12(5-6-18-14)24-11-3-4-13-10(7-11)9-19-16(20-13)25(2,22)23/h3-10,15-17H,11-14H2,1-2H3,(H,27,34)(H,29,30,31);3-9H,1-2H3,(H,17,21)
InChIKeyARCBKQAXGPXHIF-UHFFFAOYSA-N
MW827.93 g/mol
LogP5.25
Rot. Bonds10

About N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide

N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide (PubChem CID 157203649) has the molecular formula C42H41N11O6S and a molecular weight of 827.93 g/mol. Its IUPAC name is N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide.

Molecular Properties

Compound NameN-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide
PubChem CID157203649
Molecular FormulaC42H41N11O6S
Molecular Weight827.93 g/mol
Exact Mass827.30
IUPAC NameN-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide
SMILESCNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4N4CCN(C)CC4)ncc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(S(C)(=O)=O)ncc3c2)ccn1
InChIInChI=1S/C26H27N7O2.C16H14N4O4S/c1-27-25(34)23-16-20(9-10-28-23)35-19-7-8-21-18(15-19)17-29-26(30-21)31-22-5-3-4-6-24(22)33-13-11-32(2)12-14-33;1-17-15(21)14-8-12(5-6-18-14)24-11-3-4-13-10(7-11)9-19-16(20-13)25(2,22)23/h3-10,15-17H,11-14H2,1-2H3,(H,27,34)(H,29,30,31);3-9H,1-2H3,(H,17,21)
InChIKeyARCBKQAXGPXHIF-UHFFFAOYSA-N
XLogP5.25
TPSA206.65 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds10
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500827.93
LogP ≤ 55.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

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Related Compounds

N-methyl-4-[2-(pyridin-2-ylamino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 44603104
4-(2-anilinoquinazolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 57399505
4-[2-(3-fluoro-2-methylanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254892
N-methyl-4-[2-(2-methyl-5-phenylanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 59254883
4-[2-(4-bromo-3-fluoroanilino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254857
4-[2-(cyclopentylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 42642424
4-[2-[(6-chloro-3-pyridinyl)amino]quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254896
ethane;N-methyl-4-[2-(3-phenylmethoxyanilino)quinazolin-6-yl]oxypyridine-2-carboxamide
CID 143038075
tert-butyl 4-[2-[[4-[[2-(methylcarbamoyl)-4-pyridinyl]oxy]phenyl]carbamoylamino]phenyl]piperazine-1-carboxylate
CID 58919884
4-[2-(2-bicyclo[2.2.1]heptanylamino)quinazolin-6-yl]oxy-N-methylpyridine-2-carboxamide
CID 59254869
4-(2-aminoquinolin-6-yl)oxy-N-methylpyridine-2-carboxamide
CID 71019360
N-methyl-4-[[7-[[2-(methylamino)benzoyl]amino]-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]pyridine-2-carboxamide
CID 66721564

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide?
The IUPAC name of N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide (CID 157203649) is N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide.
What is the SMILES notation for N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide?
The canonical SMILES for N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide is CNC(=O)c1cc(Oc2ccc3nc(Nc4ccccc4N4CCN(C)CC4)ncc3c2)ccn1.CNC(=O)c1cc(Oc2ccc3nc(S(C)(=O)=O)ncc3c2)ccn1.
What is the InChIKey of N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide?
The InChIKey is ARCBKQAXGPXHIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O2.C16H14N4O4S/c1-27-25(34)23-16-20(9-10-28-23)35-19-7-8-21-18(15-19)17-29-26(30-21)31-22-5-3-4-6-24(22)33-13-11-32(2)12-14-33;1-17-15(21)14-8-12(5-6-18-14)24-11-3-4-13-10(7-11)9-19-16(20-13)25(2,22)23/h3-10,15-17H,11-14H2,1-2H3,(H,27,34)(H,29,30,31);3-9H,1-2H3,(H,17,21).
What are the key properties of N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide?
N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide has a molecular weight of 827.93 g/mol, XLogP of 5.25, 10 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[2-[2-(4-methylpiperazin-1-yl)anilino]quinazolin-6-yl]oxypyridine-2-carboxamide;N-methyl-4-(2-methylsulfonylquinazolin-6-yl)oxypyridine-2-carboxamide is sourced from PubChem (CID 157203649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).