N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine

C18H24F3N5 — CID 167801287

IUPACN-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCN1CCC(CNc2nc(C(F)(F)F)nc3ccccc23)(N(C)C)CC1
InChIInChI=1S/C18H24F3N5/c1-25(2)17(8-10-26(3)11-9-17)12-22-15-13-6-4-5-7-14(13)23-16(24-15)18(19,20)21/h4-7H,8-12H2,1-3H3,(H,22,23,24)
InChIKeyRIIXWOVGAHERCA-UHFFFAOYSA-N
MW367.42 g/mol
LogP3.09
Rot. Bonds4

About N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine

N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine (PubChem CID 167801287) has the molecular formula C18H24F3N5 and a molecular weight of 367.42 g/mol. Its IUPAC name is N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine.

Molecular Properties

Compound NameN-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
PubChem CID167801287
Molecular FormulaC18H24F3N5
Molecular Weight367.42 g/mol
Exact Mass367.20
IUPAC NameN-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine
SMILESCN1CCC(CNc2nc(C(F)(F)F)nc3ccccc23)(N(C)C)CC1
InChIInChI=1S/C18H24F3N5/c1-25(2)17(8-10-26(3)11-9-17)12-22-15-13-6-4-5-7-14(13)23-16(24-15)18(19,20)21/h4-7H,8-12H2,1-3H3,(H,22,23,24)
InChIKeyRIIXWOVGAHERCA-UHFFFAOYSA-N
XLogP3.09
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.42
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The IUPAC name of N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine (CID 167801287) is N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine.
What is the SMILES notation for N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The canonical SMILES for N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine is CN1CCC(CNc2nc(C(F)(F)F)nc3ccccc23)(N(C)C)CC1.
What is the InChIKey of N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
The InChIKey is RIIXWOVGAHERCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24F3N5/c1-25(2)17(8-10-26(3)11-9-17)12-22-15-13-6-4-5-7-14(13)23-16(24-15)18(19,20)21/h4-7H,8-12H2,1-3H3,(H,22,23,24).
What are the key properties of N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine?
N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine has a molecular weight of 367.42 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(dimethylamino)-1-methylpiperidin-4-yl]methyl]-2-(trifluoromethyl)quinazolin-4-amine is sourced from PubChem (CID 167801287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).