2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine

C19H17F3N4O — CID 163221660

IUPAC2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine
SMILESNc1ccc2cnc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)15-9-12(2-4-17(15)26-5-7-27-8-6-26)18-24-11-13-1-3-14(23)10-16(13)25-18/h1-4,9-11H,5-8,23H2
InChIKeyDDCMURFTKAUTJO-UHFFFAOYSA-N
MW374.37 g/mol
LogP3.73
Rot. Bonds2

About 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine

2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine (PubChem CID 163221660) has the molecular formula C19H17F3N4O and a molecular weight of 374.37 g/mol. Its IUPAC name is 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine.

Molecular Properties

Compound Name2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine
PubChem CID163221660
Molecular FormulaC19H17F3N4O
Molecular Weight374.37 g/mol
Exact Mass374.14
IUPAC Name2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine
SMILESNc1ccc2cnc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)nc2c1
InChIInChI=1S/C19H17F3N4O/c20-19(21,22)15-9-12(2-4-17(15)26-5-7-27-8-6-26)18-24-11-13-1-3-14(23)10-16(13)25-18/h1-4,9-11H,5-8,23H2
InChIKeyDDCMURFTKAUTJO-UHFFFAOYSA-N
XLogP3.73
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.37
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine?
The IUPAC name of 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine (CID 163221660) is 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine.
What is the SMILES notation for 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine?
The canonical SMILES for 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine is Nc1ccc2cnc(-c3ccc(N4CCOCC4)c(C(F)(F)F)c3)nc2c1.
What is the InChIKey of 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine?
The InChIKey is DDCMURFTKAUTJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O/c20-19(21,22)15-9-12(2-4-17(15)26-5-7-27-8-6-26)18-24-11-13-1-3-14(23)10-16(13)25-18/h1-4,9-11H,5-8,23H2.
What are the key properties of 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine?
2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine has a molecular weight of 374.37 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-morpholin-4-yl-3-(trifluoromethyl)phenyl]quinazolin-7-amine is sourced from PubChem (CID 163221660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).