N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

C23H19F3N4O — CID 137469980

IUPACN-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cncc(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C23H19F3N4O/c1-30(11-12-31-18-7-3-2-4-8-18)22-19-9-5-6-10-20(19)28-21(29-22)16-13-17(15-27-14-16)23(24,25)26/h2-10,13-15H,11-12H2,1H3
InChIKeyCJUROWBLLNWTPX-UHFFFAOYSA-N
MW424.43 g/mol
LogP5.23
Rot. Bonds6

About N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine

N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (PubChem CID 137469980) has the molecular formula C23H19F3N4O and a molecular weight of 424.43 g/mol. Its IUPAC name is N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
PubChem CID137469980
Molecular FormulaC23H19F3N4O
Molecular Weight424.43 g/mol
Exact Mass424.15
IUPAC NameN-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine
SMILESCN(CCOc1ccccc1)c1nc(-c2cncc(C(F)(F)F)c2)nc2ccccc12
InChIInChI=1S/C23H19F3N4O/c1-30(11-12-31-18-7-3-2-4-8-18)22-19-9-5-6-10-20(19)28-21(29-22)16-13-17(15-27-14-16)23(24,25)26/h2-10,13-15H,11-12H2,1H3
InChIKeyCJUROWBLLNWTPX-UHFFFAOYSA-N
XLogP5.23
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.43
LogP ≤ 55.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The IUPAC name of N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine (CID 137469980) is N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine.
What is the SMILES notation for N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The canonical SMILES for N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is CN(CCOc1ccccc1)c1nc(-c2cncc(C(F)(F)F)c2)nc2ccccc12.
What is the InChIKey of N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
The InChIKey is CJUROWBLLNWTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N4O/c1-30(11-12-31-18-7-3-2-4-8-18)22-19-9-5-6-10-20(19)28-21(29-22)16-13-17(15-27-14-16)23(24,25)26/h2-10,13-15H,11-12H2,1H3.
What are the key properties of N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine?
N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine has a molecular weight of 424.43 g/mol, XLogP of 5.23, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-phenoxyethyl)-2-[5-(trifluoromethyl)-3-pyridinyl]quinazolin-4-amine is sourced from PubChem (CID 137469980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).