N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

C18H16F3N3O — CID 3235120

IUPACN-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOCCNc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C18H16F3N3O/c1-25-11-10-22-16-13-7-3-5-9-15(13)23-17(24-16)12-6-2-4-8-14(12)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23,24)
InChIKeyWMJHKMDKXMYMSI-UHFFFAOYSA-N
MW347.34 g/mol
LogP4.37
Rot. Bonds5

About N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine

N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (PubChem CID 3235120) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
PubChem CID3235120
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC NameN-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine
SMILESCOCCNc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12
InChIInChI=1S/C18H16F3N3O/c1-25-11-10-22-16-13-7-3-5-9-15(13)23-17(24-16)12-6-2-4-8-14(12)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23,24)
InChIKeyWMJHKMDKXMYMSI-UHFFFAOYSA-N
XLogP4.37
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The IUPAC name of N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine (CID 3235120) is N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine.
What is the SMILES notation for N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The canonical SMILES for N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is COCCNc1nc(-c2ccccc2C(F)(F)F)nc2ccccc12.
What is the InChIKey of N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
The InChIKey is WMJHKMDKXMYMSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c1-25-11-10-22-16-13-7-3-5-9-15(13)23-17(24-16)12-6-2-4-8-14(12)18(19,20)21/h2-9H,10-11H2,1H3,(H,22,23,24).
What are the key properties of N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine?
N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine has a molecular weight of 347.34 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[2-(trifluoromethyl)phenyl]quinazolin-4-amine is sourced from PubChem (CID 3235120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).