6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline

C24H18ClN5O — CID 10322185

IUPAC6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SMILESCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C24H18ClN5O/c1-15-12-23(21-13-18(25)10-11-22(21)26-15)31-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24-27-29-30-28-24/h2-13H,14H2,1H3,(H,27,28,29,30)
InChIKeyYRHGNIOGGTUMIF-UHFFFAOYSA-N
MW427.90 g/mol
LogP5.62
Rot. Bonds5

About 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline

6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline (PubChem CID 10322185) has the molecular formula C24H18ClN5O and a molecular weight of 427.90 g/mol. Its IUPAC name is 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline.

Molecular Properties

Compound Name6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
PubChem CID10322185
Molecular FormulaC24H18ClN5O
Molecular Weight427.90 g/mol
Exact Mass427.12
IUPAC Name6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline
SMILESCc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(Cl)ccc2n1
InChIInChI=1S/C24H18ClN5O/c1-15-12-23(21-13-18(25)10-11-22(21)26-15)31-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24-27-29-30-28-24/h2-13H,14H2,1H3,(H,27,28,29,30)
InChIKeyYRHGNIOGGTUMIF-UHFFFAOYSA-N
XLogP5.62
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500427.90
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The IUPAC name of 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline (CID 10322185) is 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline.
What is the SMILES notation for 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The canonical SMILES for 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline is Cc1cc(OCc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2cc(Cl)ccc2n1.
What is the InChIKey of 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
The InChIKey is YRHGNIOGGTUMIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClN5O/c1-15-12-23(21-13-18(25)10-11-22(21)26-15)31-14-16-6-8-17(9-7-16)19-4-2-3-5-20(19)24-27-29-30-28-24/h2-13H,14H2,1H3,(H,27,28,29,30).
What are the key properties of 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline?
6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline has a molecular weight of 427.90 g/mol, XLogP of 5.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-methyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methoxy]quinoline is sourced from PubChem (CID 10322185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).