7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine

C18H16F3N3O2 — CID 155924580

IUPAC7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine
SMILESCOc1ccc2c(NCCc3ccc(OC(F)(F)F)cc3)ncnc2c1
InChIInChI=1S/C18H16F3N3O2/c1-25-14-6-7-15-16(10-14)23-11-24-17(15)22-9-8-12-2-4-13(5-3-12)26-18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24)
InChIKeyVUUJYEKCDUIYMD-UHFFFAOYSA-N
MW363.34 g/mol
LogP4.19
Rot. Bonds6

About 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine

7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine (PubChem CID 155924580) has the molecular formula C18H16F3N3O2 and a molecular weight of 363.34 g/mol. Its IUPAC name is 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine.

Molecular Properties

Compound Name7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine
PubChem CID155924580
Molecular FormulaC18H16F3N3O2
Molecular Weight363.34 g/mol
Exact Mass363.12
IUPAC Name7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine
SMILESCOc1ccc2c(NCCc3ccc(OC(F)(F)F)cc3)ncnc2c1
InChIInChI=1S/C18H16F3N3O2/c1-25-14-6-7-15-16(10-14)23-11-24-17(15)22-9-8-12-2-4-13(5-3-12)26-18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24)
InChIKeyVUUJYEKCDUIYMD-UHFFFAOYSA-N
XLogP4.19
TPSA56.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.34
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?
The IUPAC name of 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine (CID 155924580) is 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine.
What is the SMILES notation for 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?
The canonical SMILES for 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine is COc1ccc2c(NCCc3ccc(OC(F)(F)F)cc3)ncnc2c1.
What is the InChIKey of 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?
The InChIKey is VUUJYEKCDUIYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O2/c1-25-14-6-7-15-16(10-14)23-11-24-17(15)22-9-8-12-2-4-13(5-3-12)26-18(19,20)21/h2-7,10-11H,8-9H2,1H3,(H,22,23,24).
What are the key properties of 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine?
7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine has a molecular weight of 363.34 g/mol, XLogP of 4.19, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-N-[2-[4-(trifluoromethoxy)phenyl]ethyl]quinazolin-4-amine is sourced from PubChem (CID 155924580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).