2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

C18H16FN5O2 — CID 162684766

IUPAC2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(COCc3ccc(F)cc3)nc21
InChIInChI=1S/C18H16FN5O2/c1-25-14-4-2-3-13-16(14)22-18(20)24-17(13)21-15(23-24)10-26-9-11-5-7-12(19)8-6-11/h2-8H,9-10H2,1H3,(H2,20,22)
InChIKeyLZVPRJLYDDHPTH-UHFFFAOYSA-N
MW353.36 g/mol
LogP2.72
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine

2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (PubChem CID 162684766) has the molecular formula C18H16FN5O2 and a molecular weight of 353.36 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
PubChem CID162684766
Molecular FormulaC18H16FN5O2
Molecular Weight353.36 g/mol
Exact Mass353.13
IUPAC Name2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine
SMILESCOc1cccc2c1nc(N)n1nc(COCc3ccc(F)cc3)nc21
InChIInChI=1S/C18H16FN5O2/c1-25-14-4-2-3-13-16(14)22-18(20)24-17(13)21-15(23-24)10-26-9-11-5-7-12(19)8-6-11/h2-8H,9-10H2,1H3,(H2,20,22)
InChIKeyLZVPRJLYDDHPTH-UHFFFAOYSA-N
XLogP2.72
TPSA87.56 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.36
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The IUPAC name of 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine (CID 162684766) is 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The canonical SMILES for 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is COc1cccc2c1nc(N)n1nc(COCc3ccc(F)cc3)nc21.
What is the InChIKey of 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
The InChIKey is LZVPRJLYDDHPTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O2/c1-25-14-4-2-3-13-16(14)22-18(20)24-17(13)21-15(23-24)10-26-9-11-5-7-12(19)8-6-11/h2-8H,9-10H2,1H3,(H2,20,22).
What are the key properties of 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine?
2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine has a molecular weight of 353.36 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxymethyl]-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine is sourced from PubChem (CID 162684766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).