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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Related Compounds

N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 18592220
3-(4-fluorophenyl)-N-(furan-2-ylmethyl)triazolo[1,5-a]quinazolin-5-amine
CID 51365941
N-benzyl-7-chloro-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 20874483
7-chloro-N-[2-(cyclohexen-1-yl)ethyl]-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-amine
CID 16813302
4-[7-chloro-3-(3-fluorophenyl)triazolo[1,5-a]quinazolin-5-yl]morpholine
CID 8721556
3-(3-chlorophenyl)-N-[(4-ethylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365961
3-(3-fluorophenyl)-N-[(3-methoxyphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 2140953
N-[(4-chlorophenyl)methyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 20874471
3-(3-chlorophenyl)-N-[(4-propan-2-ylphenyl)methyl]triazolo[1,5-a]quinazolin-5-amine
CID 51365962
7-chloro-N-[2-(3,4-diethoxyphenyl)ethyl]-3-[3-(trifluoromethyl)phenyl]triazolo[1,5-a]quinazolin-5-amine
CID 16956377
6-chloro-N-(furan-2-ylmethyl)-2-(4-methylpiperazin-1-yl)quinazolin-4-amine
CID 25178345
3-(3-chlorophenyl)-N-(furan-2-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359364

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).