N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C47H50F6N10O4 — CID 87952789

IUPACN-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(N2CCCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.Cc1nc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C24H26F3N5O2.C23H24F3N5O2/c1-16-20-14-18(29-22(33)15-34-19-7-4-17(5-8-19)24(25,26)27)6-9-21(20)30-23(28-16)32-11-3-10-31(2)12-13-32;1-15-19-13-17(5-8-20(19)29-22(27-15)31-11-9-30(2)10-12-31)28-21(32)14-33-18-6-3-16(4-7-18)23(24,25)26/h4-9,14H,3,10-13,15H2,1-2H3,(H,29,33);3-8,13H,9-12,14H2,1-2H3,(H,28,32)
InChIKeyBTRFNWQMFNJOOR-UHFFFAOYSA-N
MW932.97 g/mol
LogP7.84
Rot. Bonds10

About N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 87952789) has the molecular formula C47H50F6N10O4 and a molecular weight of 932.97 g/mol. Its IUPAC name is N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID87952789
Molecular FormulaC47H50F6N10O4
Molecular Weight932.97 g/mol
Exact Mass932.39
IUPAC NameN-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(N2CCCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.Cc1nc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C24H26F3N5O2.C23H24F3N5O2/c1-16-20-14-18(29-22(33)15-34-19-7-4-17(5-8-19)24(25,26)27)6-9-21(20)30-23(28-16)32-11-3-10-31(2)12-13-32;1-15-19-13-17(5-8-20(19)29-22(27-15)31-11-9-30(2)10-12-31)28-21(32)14-33-18-6-3-16(4-7-18)23(24,25)26/h4-9,14H,3,10-13,15H2,1-2H3,(H,29,33);3-8,13H,9-12,14H2,1-2H3,(H,28,32)
InChIKeyBTRFNWQMFNJOOR-UHFFFAOYSA-N
XLogP7.84
TPSA141.18 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds10
Heavy Atoms67
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500932.97
LogP ≤ 57.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide with MolForge

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Related Compounds

N-[4-methyl-2-(4-piperidin-1-ylpiperidin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 11713436
N-[2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-(2-piperazin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 87952876
N-[2-[4-(dimethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-[4-[(trifluoro-λ4-sulfanyl)methoxy]phenoxy]acetamide
CID 140504111
N-(3-methyl-2-pyrrolidin-1-ylbenzimidazol-5-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 11281523
2-(4-methyl-1,4-diazepan-1-yl)-6-[(2-phenoxyacetyl)amino]quinoline-4-carboxylic acid
CID 50783033
[bis(fluorosulfanyl)-[4-[2-[[4-methyl-2-(4-pyrrolidin-1-ylpiperidin-1-yl)quinazolin-6-yl]amino]-2-oxoethoxy]phenoxy]methyl] thiohypofluorite
CID 87909145
N-[2-[4-(cyclopropylmethylamino)piperidin-1-yl]-4-methylquinazolin-6-yl]-2-(4-methylphenoxy)acetamide
CID 11712289
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methylphenoxy)acetamide
CID 122357173
N-[4,6-dimethyl-2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 122357170
N-(4-methyl-2-piperidin-1-ylquinolin-6-yl)-2-[4-(trifluoromethoxy)phenoxy]acetamide
CID 11705240
N-[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-methylpyrido[2,3-d]pyrimidin-6-yl]-N'-[4-methyl-2-(4-methylpiperazin-1-yl)pyrido[2,3-d]pyrimidin-6-yl]-2,3-bis[4-(trifluoromethyl)phenoxy]butanediamide
CID 87953044
N-[2-[4-(dimethylamino)phenyl]-4-methylquinolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 11155856

Frequently Asked Questions

What is the IUPAC name of N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 87952789) is N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1nc(N2CCCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.Cc1nc(N2CCN(C)CC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is BTRFNWQMFNJOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O2.C23H24F3N5O2/c1-16-20-14-18(29-22(33)15-34-19-7-4-17(5-8-19)24(25,26)27)6-9-21(20)30-23(28-16)32-11-3-10-31(2)12-13-32;1-15-19-13-17(5-8-20(19)29-22(27-15)31-11-9-30(2)10-12-31)28-21(32)14-33-18-6-3-16(4-7-18)23(24,25)26/h4-9,14H,3,10-13,15H2,1-2H3,(H,29,33);3-8,13H,9-12,14H2,1-2H3,(H,28,32).
What are the key properties of N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 932.97 g/mol, XLogP of 7.84, 10 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methyl-2-(4-methyl-1,4-diazepan-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide;N-[4-methyl-2-(4-methylpiperazin-1-yl)quinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 87952789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).