6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one

C18H16F3N3O2 — CID 162429420

IUPAC6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCOCCn1cnc2ccc(N)c(-c3ccc(C(F)(F)F)cc3)c2c1=O
InChIInChI=1S/C18H16F3N3O2/c1-26-9-8-24-10-23-14-7-6-13(22)15(16(14)17(24)25)11-2-4-12(5-3-11)18(19,20)21/h2-7,10H,8-9,22H2,1H3
InChIKeyBCQCICANGBUUSP-UHFFFAOYSA-N
MW363.34 g/mol
LogP3.31
Rot. Bonds4

About 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one

6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one (PubChem CID 162429420) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one.

Molecular Properties

Compound Name6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one
PubChem CID162429420
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one
SMILESCOCCn1cnc2ccc(N)c(-c3ccc(C(F)(F)F)cc3)c2c1=O
InChIInChI=1S/C18H16F3N3O2/c1-26-9-8-24-10-23-14-7-6-13(22)15(16(14)17(24)25)11-2-4-12(5-3-11)18(19,20)21/h2-7,10H,8-9,22H2,1H3
InChIKeyBCQCICANGBUUSP-UHFFFAOYSA-N
XLogP3.31
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-bromo-5-fluoro-3-(2-methoxyethyl)quinazolin-4-one
CID 166465134
6-(2-amino-1,3-benzoxazol-5-yl)-3-(2-methoxyethyl)quinazolin-4-one
CID 70798738
6-amino-5-fluoro-3-(fluoromethyl)quinazolin-4-one
CID 165149900
6-amino-3-[2-(2,2,2-trifluoroethoxy)ethyl]quinazolin-4-one
CID 61490842
3-(2-methoxyethyl)pyrido[4,3-d]pyrimidin-4-one
CID 39817833
ethyl 3-[5-chloro-3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]sulfanylpropanoate
CID 166465162
6-(hydroxyamino)-3-(2-methoxyethyl)quinazolin-4-one
CID 162429544
1-[3-(2-methoxyethyl)-4-oxoquinazolin-6-yl]-3-[4-(trifluoromethoxy)phenyl]urea
CID 162429621
N-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-N-methyl-1-[4-(trifluoromethyl)phenyl]methanamine
CID 131948411
1-(2-methoxyethyl)-4-[5-[4-(trifluoromethyl)phenyl]-2-pyridinyl]piperazine
CID 15951455
6-(3-hydroxyphenyl)-3-(2-methoxyethyl)pyrido[3,2-d]pyrimidin-4-one
CID 134810764
N-[2-[4-(4-methoxyphenyl)-6-oxopyrimidin-1-yl]ethyl]-4-(trifluoromethyl)benzamide
CID 90515891

Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The IUPAC name of 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one (CID 162429420) is 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one.
What is the SMILES notation for 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The canonical SMILES for 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one is COCCn1cnc2ccc(N)c(-c3ccc(C(F)(F)F)cc3)c2c1=O.
What is the InChIKey of 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
The InChIKey is BCQCICANGBUUSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-26-9-8-24-10-23-14-7-6-13(22)15(16(14)17(24)25)11-2-4-12(5-3-11)18(19,20)21/h2-7,10H,8-9,22H2,1H3.
What are the key properties of 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one?
6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one has a molecular weight of 363.34 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(2-methoxyethyl)-5-[4-(trifluoromethyl)phenyl]quinazolin-4-one is sourced from PubChem (CID 162429420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).