7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine

C20H13ClFN5O — CID 8721555

IUPAC7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESFc1cccc(-c2nnn3c2nc(NCc2ccco2)c2cc(Cl)ccc23)c1
InChIInChI=1S/C20H13ClFN5O/c21-13-6-7-17-16(10-13)19(23-11-15-5-2-8-28-15)24-20-18(25-26-27(17)20)12-3-1-4-14(22)9-12/h1-10H,11H2,(H,23,24)
InChIKeyWVENCBXZVIWPGB-UHFFFAOYSA-N
MW393.81 g/mol
LogP4.94
Rot. Bonds4

About 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine

7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine (PubChem CID 8721555) has the molecular formula C20H13ClFN5O and a molecular weight of 393.81 g/mol. Its IUPAC name is 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine.

Molecular Properties

Compound Name7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
PubChem CID8721555
Molecular FormulaC20H13ClFN5O
Molecular Weight393.81 g/mol
Exact Mass393.08
IUPAC Name7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
SMILESFc1cccc(-c2nnn3c2nc(NCc2ccco2)c2cc(Cl)ccc23)c1
InChIInChI=1S/C20H13ClFN5O/c21-13-6-7-17-16(10-13)19(23-11-15-5-2-8-28-15)24-20-18(25-26-27(17)20)12-3-1-4-14(22)9-12/h1-10H,11H2,(H,23,24)
InChIKeyWVENCBXZVIWPGB-UHFFFAOYSA-N
XLogP4.94
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.81
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The IUPAC name of 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine (CID 8721555) is 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine.
What is the SMILES notation for 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The canonical SMILES for 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine is Fc1cccc(-c2nnn3c2nc(NCc2ccco2)c2cc(Cl)ccc23)c1.
What is the InChIKey of 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
The InChIKey is WVENCBXZVIWPGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13ClFN5O/c21-13-6-7-17-16(10-13)19(23-11-15-5-2-8-28-15)24-20-18(25-26-27(17)20)12-3-1-4-14(22)9-12/h1-10H,11H2,(H,23,24).
What are the key properties of 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine?
7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine has a molecular weight of 393.81 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine is sourced from PubChem (CID 8721555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).