N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide

C17H18F3N3O3 — CID 129051360

IUPACN-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=O)n(C3CCC(C(F)(F)F)CC3)c(=O)c2c1
InChIInChI=1S/C17H18F3N3O3/c1-9(24)21-11-4-7-14-13(8-11)15(25)23(16(26)22-14)12-5-2-10(3-6-12)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H,21,24)(H,22,26)
InChIKeyMGRWIWUIPXJPPB-UHFFFAOYSA-N
MW369.34 g/mol
LogP2.94
Rot. Bonds2

About N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide

N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide (PubChem CID 129051360) has the molecular formula C17H18F3N3O3 and a molecular weight of 369.34 g/mol. Its IUPAC name is N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide.

Molecular Properties

Compound NameN-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide
PubChem CID129051360
Molecular FormulaC17H18F3N3O3
Molecular Weight369.34 g/mol
Exact Mass369.13
IUPAC NameN-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide
SMILESCC(=O)Nc1ccc2[nH]c(=O)n(C3CCC(C(F)(F)F)CC3)c(=O)c2c1
InChIInChI=1S/C17H18F3N3O3/c1-9(24)21-11-4-7-14-13(8-11)15(25)23(16(26)22-14)12-5-2-10(3-6-12)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H,21,24)(H,22,26)
InChIKeyMGRWIWUIPXJPPB-UHFFFAOYSA-N
XLogP2.94
TPSA83.96 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.34
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide?
The IUPAC name of N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide (CID 129051360) is N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide.
What is the SMILES notation for N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide?
The canonical SMILES for N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide is CC(=O)Nc1ccc2[nH]c(=O)n(C3CCC(C(F)(F)F)CC3)c(=O)c2c1.
What is the InChIKey of N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide?
The InChIKey is MGRWIWUIPXJPPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F3N3O3/c1-9(24)21-11-4-7-14-13(8-11)15(25)23(16(26)22-14)12-5-2-10(3-6-12)17(18,19)20/h4,7-8,10,12H,2-3,5-6H2,1H3,(H,21,24)(H,22,26).
What are the key properties of N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide?
N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide has a molecular weight of 369.34 g/mol, XLogP of 2.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-dioxo-3-[4-(trifluoromethyl)cyclohexyl]-1H-quinazolin-6-yl]acetamide is sourced from PubChem (CID 129051360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).