7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline

C25H20ClN5O — CID 10390316

IUPAC7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SMILESCCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(Cl)cc2n1
InChIInChI=1S/C25H20ClN5O/c1-2-19-14-24(22-12-11-18(26)13-23(22)27-19)32-15-16-7-9-17(10-8-16)20-5-3-4-6-21(20)25-28-30-31-29-25/h3-14H,2,15H2,1H3,(H,28,29,30,31)
InChIKeyIUYNTOUXPMAIEK-UHFFFAOYSA-N
MW441.92 g/mol
LogP5.88
Rot. Bonds6

About 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline

7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline (PubChem CID 10390316) has the molecular formula C25H20ClN5O and a molecular weight of 441.92 g/mol. Its IUPAC name is 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline.

Molecular Properties

Compound Name7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
PubChem CID10390316
Molecular FormulaC25H20ClN5O
Molecular Weight441.92 g/mol
Exact Mass441.14
IUPAC Name7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SMILESCCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(Cl)cc2n1
InChIInChI=1S/C25H20ClN5O/c1-2-19-14-24(22-12-11-18(26)13-23(22)27-19)32-15-16-7-9-17(10-8-16)20-5-3-4-6-21(20)25-28-30-31-29-25/h3-14H,2,15H2,1H3,(H,28,29,30,31)
InChIKeyIUYNTOUXPMAIEK-UHFFFAOYSA-N
XLogP5.88
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.92
LogP ≤ 55.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The IUPAC name of 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline (CID 10390316) is 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline.
What is the SMILES notation for 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The canonical SMILES for 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline is CCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ccc(Cl)cc2n1.
What is the InChIKey of 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The InChIKey is IUYNTOUXPMAIEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClN5O/c1-2-19-14-24(22-12-11-18(26)13-23(22)27-19)32-15-16-7-9-17(10-8-16)20-5-3-4-6-21(20)25-28-30-31-29-25/h3-14H,2,15H2,1H3,(H,28,29,30,31).
What are the key properties of 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline has a molecular weight of 441.92 g/mol, XLogP of 5.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline is sourced from PubChem (CID 10390316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).