1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide

C22H21F3N4O2 — CID 58552890

IUPAC1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)Nc1cccc2c(=O)n(C)c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C22H21F3N4O2/c1-28-11-5-10-17(28)20(30)26-16-9-4-8-15-18(16)27-19(29(2)21(15)31)13-6-3-7-14(12-13)22(23,24)25/h3-4,6-9,12,17H,5,10-11H2,1-2H3,(H,26,30)
InChIKeyZRAFRBMNQXRRHZ-UHFFFAOYSA-N
MW430.43 g/mol
LogP3.65
Rot. Bonds3

About 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide

1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide (PubChem CID 58552890) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide
PubChem CID58552890
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC Name1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide
SMILESCN1CCCC1C(=O)Nc1cccc2c(=O)n(C)c(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C22H21F3N4O2/c1-28-11-5-10-17(28)20(30)26-16-9-4-8-15-18(16)27-19(29(2)21(15)31)13-6-3-7-14(12-13)22(23,24)25/h3-4,6-9,12,17H,5,10-11H2,1-2H3,(H,26,30)
InChIKeyZRAFRBMNQXRRHZ-UHFFFAOYSA-N
XLogP3.65
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide (CID 58552890) is 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide is CN1CCCC1C(=O)Nc1cccc2c(=O)n(C)c(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide?
The InChIKey is ZRAFRBMNQXRRHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-28-11-5-10-17(28)20(30)26-16-9-4-8-15-18(16)27-19(29(2)21(15)31)13-6-3-7-14(12-13)22(23,24)25/h3-4,6-9,12,17H,5,10-11H2,1-2H3,(H,26,30).
What are the key properties of 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide?
1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide has a molecular weight of 430.43 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-methyl-4-oxo-2-[3-(trifluoromethyl)phenyl]quinazolin-8-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 58552890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).