N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

C14H15F3N4O — CID 154834814

IUPACN-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESCCNC(=O)CN(C)c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C14H15F3N4O/c1-3-18-11(22)8-21(2)12-9-6-4-5-7-10(9)19-13(20-12)14(15,16)17/h4-7H,3,8H2,1-2H3,(H,18,22)
InChIKeyXBFAHPFGGMBIIN-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.22
Rot. Bonds4

About N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide

N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (PubChem CID 154834814) has the molecular formula C14H15F3N4O and a molecular weight of 312.30 g/mol. Its IUPAC name is N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
PubChem CID154834814
Molecular FormulaC14H15F3N4O
Molecular Weight312.30 g/mol
Exact Mass312.12
IUPAC NameN-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide
SMILESCCNC(=O)CN(C)c1nc(C(F)(F)F)nc2ccccc12
InChIInChI=1S/C14H15F3N4O/c1-3-18-11(22)8-21(2)12-9-6-4-5-7-10(9)19-13(20-12)14(15,16)17/h4-7H,3,8H2,1-2H3,(H,18,22)
InChIKeyXBFAHPFGGMBIIN-UHFFFAOYSA-N
XLogP2.22
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The IUPAC name of N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide (CID 154834814) is N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide.
What is the SMILES notation for N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The canonical SMILES for N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is CCNC(=O)CN(C)c1nc(C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
The InChIKey is XBFAHPFGGMBIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N4O/c1-3-18-11(22)8-21(2)12-9-6-4-5-7-10(9)19-13(20-12)14(15,16)17/h4-7H,3,8H2,1-2H3,(H,18,22).
What are the key properties of N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide?
N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide has a molecular weight of 312.30 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[methyl-[2-(trifluoromethyl)quinazolin-4-yl]amino]acetamide is sourced from PubChem (CID 154834814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).