N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

C23H26F3N5O2 — CID 11155432

IUPACN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(N(C)CCN(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C23H26F3N5O2/c1-15-19-13-17(7-10-20(19)29-22(27-15)31(4)12-11-30(2)3)28-21(32)14-33-18-8-5-16(6-9-18)23(24,25)26/h5-10,13H,11-12,14H2,1-4H3,(H,28,32)
InChIKeyZALRLWFCZSVMRA-UHFFFAOYSA-N
MW461.49 g/mol
LogP3.97
Rot. Bonds8

About N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide

N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 11155432) has the molecular formula C23H26F3N5O2 and a molecular weight of 461.49 g/mol. Its IUPAC name is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID11155432
Molecular FormulaC23H26F3N5O2
Molecular Weight461.49 g/mol
Exact Mass461.20
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(N(C)CCN(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C23H26F3N5O2/c1-15-19-13-17(7-10-20(19)29-22(27-15)31(4)12-11-30(2)3)28-21(32)14-33-18-8-5-16(6-9-18)23(24,25)26/h5-10,13H,11-12,14H2,1-4H3,(H,28,32)
InChIKeyZALRLWFCZSVMRA-UHFFFAOYSA-N
XLogP3.97
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.49
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

Evp4593
CID 509554
N-{2-[6-(2,4-Diamino-6-ethylpyrimidin-5-YL)-2,2-dimethyl-3-oxo-2,3-dihydro-4H-1,4-benzoxazin-4-YL]ethyl}acetamide
CID 6914627
N-(2-(pyrrolidin-1-yl)-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11153928
N-(2-(isopropylamino)-1-methyl-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11188955
N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11189610
N-(1-methyl-2-(pyrrolidin-1-yl)-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 11281523
2-(4-methoxyphenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11440762
2-(4-chlorophenoxy)-N-(4-methyl-2-(pyrrolidin-1-yl)quinazolin-6-yl)acetamide
CID 11452268
N-(2-((2-(dimethylamino)ethyl)(methyl)amino)-1-methyl-1H-benzo[d]imidazol-6-yl)-2-(4-(trifluoromethyl)phenoxy)acetamide
CID 16665072
6-[2-[4-(2-methylquinazolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10341129
7-fluoro-6-[2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl]-4H-1,4-benzoxazin-3-one
CID 10387420
5-Fluoro-6-{2-[4-(2-methylquinolin-5-yl)piperazin-1-yl]ethyl}-4H-benzo[1,4]-oxazin-3-one
CID 10454806

Frequently Asked Questions

What is the IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 11155432) is N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1nc(N(C)CCN(C)C)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is ZALRLWFCZSVMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F3N5O2/c1-15-19-13-17(7-10-20(19)29-22(27-15)31(4)12-11-30(2)3)28-21(32)14-33-18-8-5-16(6-9-18)23(24,25)26/h5-10,13H,11-12,14H2,1-4H3,(H,28,32).
What are the key properties of N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 461.49 g/mol, XLogP of 3.97, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[2-(dimethylamino)ethyl-methylamino]-4-methylquinazolin-6-yl]-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 11155432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).