N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

C22H21F3N4O2 — CID 11189610

IUPACN-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C22H21F3N4O2/c1-14-18-12-16(6-9-19(18)28-21(26-14)29-10-2-3-11-29)27-20(30)13-31-17-7-4-15(5-8-17)22(23,24)25/h4-9,12H,2-3,10-11,13H2,1H3,(H,27,30)
InChIKeyUPUPELYLRJEQHO-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.57
Rot. Bonds5

About N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide

N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (PubChem CID 11189610) has the molecular formula C22H21F3N4O2 and a molecular weight of 430.43 g/mol. Its IUPAC name is N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
PubChem CID11189610
Molecular FormulaC22H21F3N4O2
Molecular Weight430.43 g/mol
Exact Mass430.16
IUPAC NameN-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide
SMILESCc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12
InChIInChI=1S/C22H21F3N4O2/c1-14-18-12-16(6-9-19(18)28-21(26-14)29-10-2-3-11-29)27-20(30)13-31-17-7-4-15(5-8-17)22(23,24)25/h4-9,12H,2-3,10-11,13H2,1H3,(H,27,30)
InChIKeyUPUPELYLRJEQHO-UHFFFAOYSA-N
XLogP4.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The IUPAC name of N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide (CID 11189610) is N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide.
What is the SMILES notation for N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The canonical SMILES for N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is Cc1nc(N2CCCC2)nc2ccc(NC(=O)COc3ccc(C(F)(F)F)cc3)cc12.
What is the InChIKey of N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
The InChIKey is UPUPELYLRJEQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N4O2/c1-14-18-12-16(6-9-19(18)28-21(26-14)29-10-2-3-11-29)27-20(30)13-31-17-7-4-15(5-8-17)22(23,24)25/h4-9,12H,2-3,10-11,13H2,1H3,(H,27,30).
What are the key properties of N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide?
N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide has a molecular weight of 430.43 g/mol, XLogP of 4.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-pyrrolidin-1-ylquinazolin-6-yl)-2-[4-(trifluoromethyl)phenoxy]acetamide is sourced from PubChem (CID 11189610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).