2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline

C21H16N4O2 — CID 19583168

IUPAC2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1
InChIInChI=1S/C21H16N4O2/c1-14-5-4-6-15(11-14)26-12-16-9-10-19(27-16)20-23-21-17-7-2-3-8-18(17)22-13-25(21)24-20/h2-11,13H,12H2,1H3
InChIKeyKHQNLFKBKKZEHR-UHFFFAOYSA-N
MW356.39 g/mol
LogP4.42
Rot. Bonds4

About 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline

2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline (PubChem CID 19583168) has the molecular formula C21H16N4O2 and a molecular weight of 356.39 g/mol. Its IUPAC name is 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline.

Molecular Properties

Compound Name2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
PubChem CID19583168
Molecular FormulaC21H16N4O2
Molecular Weight356.39 g/mol
Exact Mass356.13
IUPAC Name2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline
SMILESCc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1
InChIInChI=1S/C21H16N4O2/c1-14-5-4-6-15(11-14)26-12-16-9-10-19(27-16)20-23-21-17-7-2-3-8-18(17)22-13-25(21)24-20/h2-11,13H,12H2,1H3
InChIKeyKHQNLFKBKKZEHR-UHFFFAOYSA-N
XLogP4.42
TPSA65.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The IUPAC name of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline (CID 19583168) is 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline.
What is the SMILES notation for 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The canonical SMILES for 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline is Cc1cccc(OCc2ccc(-c3nc4c5ccccc5ncn4n3)o2)c1.
What is the InChIKey of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
The InChIKey is KHQNLFKBKKZEHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O2/c1-14-5-4-6-15(11-14)26-12-16-9-10-19(27-16)20-23-21-17-7-2-3-8-18(17)22-13-25(21)24-20/h2-11,13H,12H2,1H3.
What are the key properties of 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline?
2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline has a molecular weight of 356.39 g/mol, XLogP of 4.42, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-methylphenoxy)methyl]furan-2-yl]-[1,2,4]triazolo[1,5-c]quinazoline is sourced from PubChem (CID 19583168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).