1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one

C10H10F3N3O — CID 164714480

IUPAC1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2ccccc2N1NCC(F)(F)F
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)6-15-16-8-4-2-1-3-7(8)5-14-9(16)17/h1-4,15H,5-6H2,(H,14,17)
InChIKeyWOYPYMHLFMQEOH-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.78
Rot. Bonds2

About 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one

1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one (PubChem CID 164714480) has the molecular formula C10H10F3N3O and a molecular weight of 245.20 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one
PubChem CID164714480
Molecular FormulaC10H10F3N3O
Molecular Weight245.20 g/mol
Exact Mass245.08
IUPAC Name1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one
SMILESO=C1NCc2ccccc2N1NCC(F)(F)F
InChIInChI=1S/C10H10F3N3O/c11-10(12,13)6-15-16-8-4-2-1-3-7(8)5-14-9(16)17/h1-4,15H,5-6H2,(H,14,17)
InChIKeyWOYPYMHLFMQEOH-UHFFFAOYSA-N
XLogP1.78
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

3,4-Dihydro-3-methyl-2(1H)-quinazolinone
CID 3846558
1,2,3,4-Tetrahydroquinazolin-2-one
CID 12360756
1-o-Tolyl-[1,2,4]triazinan-3-one
CID 10797791
1-(3-Trifluoromethyl-phenyl)-[1,2,4]triazinan-3-one
CID 10824250
1-Methyl-1,2,3,4-tetrahydroquinazolin-2-one
CID 14620633
6-Amino-3,4-dihydroquinazolin-2(1H)-one
CID 68724158
1-Morpholin-4-yl-3-[2-(trifluoromethyl)phenyl]urea
CID 971280
1-Benzyl-3-[2-(trifluoromethyl)phenyl]urea
CID 3869498
3-Ethyl-1-[2-(trifluoromethyl)phenyl]urea
CID 17276900
Potassium trifluoro(2-oxo-1,2,3,4-tetrahydroquinazolin-7-yl)boranuide
CID 132371453
6,7-Difluoro-1-(2-phenylethyl)-3,4-dihydroquinazolin-2-one
CID 134944119
6,7-Difluoro-1-[2-(4-fluorophenyl)ethyl]-3,4-dihydroquinazolin-2-one
CID 134944121

Frequently Asked Questions

What is the IUPAC name of 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one?
The IUPAC name of 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one (CID 164714480) is 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one.
What is the SMILES notation for 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one?
The canonical SMILES for 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one is O=C1NCc2ccccc2N1NCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one?
The InChIKey is WOYPYMHLFMQEOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N3O/c11-10(12,13)6-15-16-8-4-2-1-3-7(8)5-14-9(16)17/h1-4,15H,5-6H2,(H,14,17).
What are the key properties of 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one?
1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one has a molecular weight of 245.20 g/mol, XLogP of 1.78, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethylamino)-3,4-dihydroquinazolin-2-one is sourced from PubChem (CID 164714480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).