7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline

C14H9ClFN5 — CID 135737544

IUPAC7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline
SMILESFc1ccccc1C1Nc2nnnn2-c2ccc(Cl)cc21
InChIInChI=1S/C14H9ClFN5/c15-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)16)17-14-18-19-20-21(12)14/h1-7,13H,(H,17,18,20)
InChIKeyKRSFMMONTXWPDT-UHFFFAOYSA-N
MW301.71 g/mol
LogP2.97
Rot. Bonds1

About 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline

7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline (PubChem CID 135737544) has the molecular formula C14H9ClFN5 and a molecular weight of 301.71 g/mol. Its IUPAC name is 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline.

Molecular Properties

Compound Name7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline
PubChem CID135737544
Molecular FormulaC14H9ClFN5
Molecular Weight301.71 g/mol
Exact Mass301.05
IUPAC Name7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline
SMILESFc1ccccc1C1Nc2nnnn2-c2ccc(Cl)cc21
InChIInChI=1S/C14H9ClFN5/c15-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)16)17-14-18-19-20-21(12)14/h1-7,13H,(H,17,18,20)
InChIKeyKRSFMMONTXWPDT-UHFFFAOYSA-N
XLogP2.97
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline?
The IUPAC name of 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline (CID 135737544) is 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline.
What is the SMILES notation for 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline?
The canonical SMILES for 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline is Fc1ccccc1C1Nc2nnnn2-c2ccc(Cl)cc21.
What is the InChIKey of 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline?
The InChIKey is KRSFMMONTXWPDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClFN5/c15-8-5-6-12-10(7-8)13(9-3-1-2-4-11(9)16)17-14-18-19-20-21(12)14/h1-7,13H,(H,17,18,20).
What are the key properties of 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline?
7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline has a molecular weight of 301.71 g/mol, XLogP of 2.97, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-5-(2-fluorophenyl)-4,5-dihydrotetrazolo[1,5-a]quinazoline is sourced from PubChem (CID 135737544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).