N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

C15H20F3N3O2 — CID 71920245

IUPACN-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCc1nc2c(c(C(F)(F)F)n1)CC(C(=O)NCC(C)(C)O)CC2
InChIInChI=1S/C15H20F3N3O2/c1-8-20-11-5-4-9(13(22)19-7-14(2,3)23)6-10(11)12(21-8)15(16,17)18/h9,23H,4-7H2,1-3H3,(H,19,22)
InChIKeyHUPWAAFDBAPFPW-UHFFFAOYSA-N
MW331.34 g/mol
LogP1.80
Rot. Bonds3

About N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide

N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (PubChem CID 71920245) has the molecular formula C15H20F3N3O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
PubChem CID71920245
Molecular FormulaC15H20F3N3O2
Molecular Weight331.34 g/mol
Exact Mass331.15
IUPAC NameN-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide
SMILESCc1nc2c(c(C(F)(F)F)n1)CC(C(=O)NCC(C)(C)O)CC2
InChIInChI=1S/C15H20F3N3O2/c1-8-20-11-5-4-9(13(22)19-7-14(2,3)23)6-10(11)12(21-8)15(16,17)18/h9,23H,4-7H2,1-3H3,(H,19,22)
InChIKeyHUPWAAFDBAPFPW-UHFFFAOYSA-N
XLogP1.80
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The IUPAC name of N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide (CID 71920245) is N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is Cc1nc2c(c(C(F)(F)F)n1)CC(C(=O)NCC(C)(C)O)CC2.
What is the InChIKey of N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
The InChIKey is HUPWAAFDBAPFPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O2/c1-8-20-11-5-4-9(13(22)19-7-14(2,3)23)6-10(11)12(21-8)15(16,17)18/h9,23H,4-7H2,1-3H3,(H,19,22).
What are the key properties of N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide?
N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide has a molecular weight of 331.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-methylpropyl)-2-methyl-4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazoline-6-carboxamide is sourced from PubChem (CID 71920245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).