N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

C25H23F3N4O4 — CID 58252895

IUPACN-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESC=C1CCC(n2c(C)nc3cccc(CNC(=O)Cc4ccc(OC(F)(F)F)cc4)c3c2=O)C(=O)N1
InChIInChI=1S/C25H23F3N4O4/c1-14-6-11-20(23(34)30-14)32-15(2)31-19-5-3-4-17(22(19)24(32)35)13-29-21(33)12-16-7-9-18(10-8-16)36-25(26,27)28/h3-5,7-10,20H,1,6,11-13H2,2H3,(H,29,33)(H,30,34)
InChIKeyLAPGJZRIHYRSJN-UHFFFAOYSA-N
MW500.48 g/mol
LogP3.43
Rot. Bonds6

About N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide

N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (PubChem CID 58252895) has the molecular formula C25H23F3N4O4 and a molecular weight of 500.48 g/mol. Its IUPAC name is N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.

Molecular Properties

Compound NameN-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
PubChem CID58252895
Molecular FormulaC25H23F3N4O4
Molecular Weight500.48 g/mol
Exact Mass500.17
IUPAC NameN-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide
SMILESC=C1CCC(n2c(C)nc3cccc(CNC(=O)Cc4ccc(OC(F)(F)F)cc4)c3c2=O)C(=O)N1
InChIInChI=1S/C25H23F3N4O4/c1-14-6-11-20(23(34)30-14)32-15(2)31-19-5-3-4-17(22(19)24(32)35)13-29-21(33)12-16-7-9-18(10-8-16)36-25(26,27)28/h3-5,7-10,20H,1,6,11-13H2,2H3,(H,29,33)(H,30,34)
InChIKeyLAPGJZRIHYRSJN-UHFFFAOYSA-N
XLogP3.43
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.48
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The IUPAC name of N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide (CID 58252895) is N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide.
What is the SMILES notation for N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The canonical SMILES for N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is C=C1CCC(n2c(C)nc3cccc(CNC(=O)Cc4ccc(OC(F)(F)F)cc4)c3c2=O)C(=O)N1.
What is the InChIKey of N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
The InChIKey is LAPGJZRIHYRSJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O4/c1-14-6-11-20(23(34)30-14)32-15(2)31-19-5-3-4-17(22(19)24(32)35)13-29-21(33)12-16-7-9-18(10-8-16)36-25(26,27)28/h3-5,7-10,20H,1,6,11-13H2,2H3,(H,29,33)(H,30,34).
What are the key properties of N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide?
N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide has a molecular weight of 500.48 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-5-yl]methyl]-2-[4-(trifluoromethoxy)phenyl]acetamide is sourced from PubChem (CID 58252895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).