N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

C18H16F3N3O3 — CID 134032634

IUPACN-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)N(Cc3ccco3)CC(F)(F)F)cnc12
InChIInChI=1S/C18H16F3N3O3/c1-12-4-2-6-14-16(12)22-11-24(17(14)26)9-15(25)23(10-18(19,20)21)8-13-5-3-7-27-13/h2-7,11H,8-10H2,1H3
InChIKeyYBCDOFWIVDBBOA-UHFFFAOYSA-N
MW379.34 g/mol
LogP2.89
Rot. Bonds5

About N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide

N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (PubChem CID 134032634) has the molecular formula C18H16F3N3O3 and a molecular weight of 379.34 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
PubChem CID134032634
Molecular FormulaC18H16F3N3O3
Molecular Weight379.34 g/mol
Exact Mass379.11
IUPAC NameN-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide
SMILESCc1cccc2c(=O)n(CC(=O)N(Cc3ccco3)CC(F)(F)F)cnc12
InChIInChI=1S/C18H16F3N3O3/c1-12-4-2-6-14-16(12)22-11-24(17(14)26)9-15(25)23(10-18(19,20)21)8-13-5-3-7-27-13/h2-7,11H,8-10H2,1H3
InChIKeyYBCDOFWIVDBBOA-UHFFFAOYSA-N
XLogP2.89
TPSA68.34 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.34
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide (CID 134032634) is N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is Cc1cccc2c(=O)n(CC(=O)N(Cc3ccco3)CC(F)(F)F)cnc12.
What is the InChIKey of N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
The InChIKey is YBCDOFWIVDBBOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O3/c1-12-4-2-6-14-16(12)22-11-24(17(14)26)9-15(25)23(10-18(19,20)21)8-13-5-3-7-27-13/h2-7,11H,8-10H2,1H3.
What are the key properties of N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide?
N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide has a molecular weight of 379.34 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-(8-methyl-4-oxoquinazolin-3-yl)-N-(2,2,2-trifluoroethyl)acetamide is sourced from PubChem (CID 134032634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).