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

C24H21F3N4O4 — CID 58252864

IUPACN-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESC=C1CCC(n2c(C)nc3ccc(CNC(=O)c4ccc(OC(F)(F)F)cc4)cc3c2=O)C(=O)N1
InChIInChI=1S/C24H21F3N4O4/c1-13-3-10-20(22(33)29-13)31-14(2)30-19-9-4-15(11-18(19)23(31)34)12-28-21(32)16-5-7-17(8-6-16)35-24(25,26)27/h4-9,11,20H,1,3,10,12H2,2H3,(H,28,32)(H,29,33)
InChIKeyGBFFCVNJOAQYFG-UHFFFAOYSA-N
MW486.45 g/mol
LogP3.50
Rot. Bonds5

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

N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide (PubChem CID 58252864) has the molecular formula C24H21F3N4O4 and a molecular weight of 486.45 g/mol. Its IUPAC name is N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide.

Molecular Properties

Compound NameN-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide
PubChem CID58252864
Molecular FormulaC24H21F3N4O4
Molecular Weight486.45 g/mol
Exact Mass486.15
IUPAC NameN-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide
SMILESC=C1CCC(n2c(C)nc3ccc(CNC(=O)c4ccc(OC(F)(F)F)cc4)cc3c2=O)C(=O)N1
InChIInChI=1S/C24H21F3N4O4/c1-13-3-10-20(22(33)29-13)31-14(2)30-19-9-4-15(11-18(19)23(31)34)12-28-21(32)16-5-7-17(8-6-16)35-24(25,26)27/h4-9,11,20H,1,3,10,12H2,2H3,(H,28,32)(H,29,33)
InChIKeyGBFFCVNJOAQYFG-UHFFFAOYSA-N
XLogP3.50
TPSA102.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.45
LogP ≤ 53.50
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-6-yl]methyl]-4-(trifluoromethoxy)benzamide?
The IUPAC name of N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide (CID 58252864) is N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide.
What is the SMILES notation for N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide?
The canonical SMILES for N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide is C=C1CCC(n2c(C)nc3ccc(CNC(=O)c4ccc(OC(F)(F)F)cc4)cc3c2=O)C(=O)N1.
What is the InChIKey of N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide?
The InChIKey is GBFFCVNJOAQYFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O4/c1-13-3-10-20(22(33)29-13)31-14(2)30-19-9-4-15(11-18(19)23(31)34)12-28-21(32)16-5-7-17(8-6-16)35-24(25,26)27/h4-9,11,20H,1,3,10,12H2,2H3,(H,28,32)(H,29,33).
What are the key properties of N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide?
N-[[2-methyl-3-(6-methylidene-2-oxopiperidin-3-yl)-4-oxoquinazolin-6-yl]methyl]-4-(trifluoromethoxy)benzamide has a molecular weight of 486.45 g/mol, XLogP of 3.50, 5 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-6-yl]methyl]-4-(trifluoromethoxy)benzamide is sourced from PubChem (CID 58252864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).