N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide

C17H22F3N3O — CID 128756756

IUPACN-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESCC1(C)CCc2nc(NC(=O)C3(C(F)(F)F)CCCC3)ncc2C1
InChIInChI=1S/C17H22F3N3O/c1-15(2)8-5-12-11(9-15)10-21-14(22-12)23-13(24)16(17(18,19)20)6-3-4-7-16/h10H,3-9H2,1-2H3,(H,21,22,23,24)
InChIKeySLVOCYBGXWLVHJ-UHFFFAOYSA-N
MW341.38 g/mol
LogP4.05
Rot. Bonds2

About N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide

N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide (PubChem CID 128756756) has the molecular formula C17H22F3N3O and a molecular weight of 341.38 g/mol. Its IUPAC name is N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide.

Molecular Properties

Compound NameN-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide
PubChem CID128756756
Molecular FormulaC17H22F3N3O
Molecular Weight341.38 g/mol
Exact Mass341.17
IUPAC NameN-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide
SMILESCC1(C)CCc2nc(NC(=O)C3(C(F)(F)F)CCCC3)ncc2C1
InChIInChI=1S/C17H22F3N3O/c1-15(2)8-5-12-11(9-15)10-21-14(22-12)23-13(24)16(17(18,19)20)6-3-4-7-16/h10H,3-9H2,1-2H3,(H,21,22,23,24)
InChIKeySLVOCYBGXWLVHJ-UHFFFAOYSA-N
XLogP4.05
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.38
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The IUPAC name of N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide (CID 128756756) is N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide.
What is the SMILES notation for N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The canonical SMILES for N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide is CC1(C)CCc2nc(NC(=O)C3(C(F)(F)F)CCCC3)ncc2C1.
What is the InChIKey of N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide?
The InChIKey is SLVOCYBGXWLVHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22F3N3O/c1-15(2)8-5-12-11(9-15)10-21-14(22-12)23-13(24)16(17(18,19)20)6-3-4-7-16/h10H,3-9H2,1-2H3,(H,21,22,23,24).
What are the key properties of N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide?
N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide has a molecular weight of 341.38 g/mol, XLogP of 4.05, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,6-dimethyl-7,8-dihydro-5H-quinazolin-2-yl)-1-(trifluoromethyl)cyclopentane-1-carboxamide is sourced from PubChem (CID 128756756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).