[4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol

C17H25F3N4O — CID 156605475

IUPAC[4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol
SMILESCN(C)CC1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC1CO
InChIInChI=1S/C17H25F3N4O/c1-23(2)7-11-8-24(9-12(11)10-25)16-21-14-6-4-3-5-13(14)15(22-16)17(18,19)20/h11-12,25H,3-10H2,1-2H3
InChIKeyZIILKGIZBSBBLZ-UHFFFAOYSA-N
MW358.41 g/mol
LogP1.98
Rot. Bonds4

About [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol

[4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol (PubChem CID 156605475) has the molecular formula C17H25F3N4O and a molecular weight of 358.41 g/mol. Its IUPAC name is [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol.

Molecular Properties

Compound Name[4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol
PubChem CID156605475
Molecular FormulaC17H25F3N4O
Molecular Weight358.41 g/mol
Exact Mass358.20
IUPAC Name[4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol
SMILESCN(C)CC1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC1CO
InChIInChI=1S/C17H25F3N4O/c1-23(2)7-11-8-24(9-12(11)10-25)16-21-14-6-4-3-5-13(14)15(22-16)17(18,19)20/h11-12,25H,3-10H2,1-2H3
InChIKeyZIILKGIZBSBBLZ-UHFFFAOYSA-N
XLogP1.98
TPSA52.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol?
The IUPAC name of [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol (CID 156605475) is [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol.
What is the SMILES notation for [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol?
The canonical SMILES for [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol is CN(C)CC1CN(c2nc3c(c(C(F)(F)F)n2)CCCC3)CC1CO.
What is the InChIKey of [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol?
The InChIKey is ZIILKGIZBSBBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25F3N4O/c1-23(2)7-11-8-24(9-12(11)10-25)16-21-14-6-4-3-5-13(14)15(22-16)17(18,19)20/h11-12,25H,3-10H2,1-2H3.
What are the key properties of [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol?
[4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol has a molecular weight of 358.41 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(dimethylamino)methyl]-1-[4-(trifluoromethyl)-5,6,7,8-tetrahydroquinazolin-2-yl]pyrrolidin-3-yl]methanol is sourced from PubChem (CID 156605475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).