7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline

C34H24Cl2N6O — CID 70341431

IUPAC7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline
SMILESClc1cccc(C(c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n2ccc3cccc(OCn4cnnn4)c32)c1
InChIInChI=1S/C34H24Cl2N6O/c35-28-8-2-7-27(19-28)33(42-17-16-25-5-3-9-32(34(25)42)43-22-41-21-37-39-40-41)26-6-1-4-23(18-26)10-14-30-15-12-24-11-13-29(36)20-31(24)38-30/h1-21,33H,22H2/b14-10+
InChIKeyXXGOPLXTZUMPGO-GXDHUFHOSA-N
MW603.51 g/mol
LogP8.33
Rot. Bonds8

About 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline

7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline (PubChem CID 70341431) has the molecular formula C34H24Cl2N6O and a molecular weight of 603.51 g/mol. Its IUPAC name is 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline.

Molecular Properties

Compound Name7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline
PubChem CID70341431
Molecular FormulaC34H24Cl2N6O
Molecular Weight603.51 g/mol
Exact Mass602.14
IUPAC Name7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline
SMILESClc1cccc(C(c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n2ccc3cccc(OCn4cnnn4)c32)c1
InChIInChI=1S/C34H24Cl2N6O/c35-28-8-2-7-27(19-28)33(42-17-16-25-5-3-9-32(34(25)42)43-22-41-21-37-39-40-41)26-6-1-4-23(18-26)10-14-30-15-12-24-11-13-29(36)20-31(24)38-30/h1-21,33H,22H2/b14-10+
InChIKeyXXGOPLXTZUMPGO-GXDHUFHOSA-N
XLogP8.33
TPSA70.65 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500603.51
LogP ≤ 58.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The IUPAC name of 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline (CID 70341431) is 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline.
What is the SMILES notation for 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The canonical SMILES for 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline is Clc1cccc(C(c2cccc(/C=C/c3ccc4ccc(Cl)cc4n3)c2)n2ccc3cccc(OCn4cnnn4)c32)c1.
What is the InChIKey of 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline?
The InChIKey is XXGOPLXTZUMPGO-GXDHUFHOSA-N. The full InChI is InChI=1S/C34H24Cl2N6O/c35-28-8-2-7-27(19-28)33(42-17-16-25-5-3-9-32(34(25)42)43-22-41-21-37-39-40-41)26-6-1-4-23(18-26)10-14-30-15-12-24-11-13-29(36)20-31(24)38-30/h1-21,33H,22H2/b14-10+.
What are the key properties of 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline?
7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline has a molecular weight of 603.51 g/mol, XLogP of 8.33, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[(E)-2-[3-[(3-chlorophenyl)-[7-(tetrazol-1-ylmethoxy)indol-1-yl]methyl]phenyl]ethenyl]quinoline is sourced from PubChem (CID 70341431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).