[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol

C26H18Cl2N6O — CID 16723918

IUPAC[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
SMILESOC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H18Cl2N6O/c27-19-7-4-16(5-8-19)14-33-15-29-13-24(33)26(35)18-6-9-23-22(11-18)21(12-25-30-31-32-34(23)25)17-2-1-3-20(28)10-17/h1-13,15,26,35H,14H2
InChIKeyVBZCQPDQEPHLOD-UHFFFAOYSA-N
MW501.38 g/mol
LogP5.58
Rot. Bonds5

About [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol

[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol (PubChem CID 16723918) has the molecular formula C26H18Cl2N6O and a molecular weight of 501.38 g/mol. Its IUPAC name is [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol.

Molecular Properties

Compound Name[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
PubChem CID16723918
Molecular FormulaC26H18Cl2N6O
Molecular Weight501.38 g/mol
Exact Mass500.09
IUPAC Name[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol
SMILESOC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1
InChIInChI=1S/C26H18Cl2N6O/c27-19-7-4-16(5-8-19)14-33-15-29-13-24(33)26(35)18-6-9-23-22(11-18)21(12-25-30-31-32-34(23)25)17-2-1-3-20(28)10-17/h1-13,15,26,35H,14H2
InChIKeyVBZCQPDQEPHLOD-UHFFFAOYSA-N
XLogP5.58
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500501.38
LogP ≤ 55.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?
The IUPAC name of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol (CID 16723918) is [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol.
What is the SMILES notation for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?
The canonical SMILES for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol is OC(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1cncn1Cc1ccc(Cl)cc1.
What is the InChIKey of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?
The InChIKey is VBZCQPDQEPHLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18Cl2N6O/c27-19-7-4-16(5-8-19)14-33-15-29-13-24(33)26(35)18-6-9-23-22(11-18)21(12-25-30-31-32-34(23)25)17-2-1-3-20(28)10-17/h1-13,15,26,35H,14H2.
What are the key properties of [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol?
[3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol has a molecular weight of 501.38 g/mol, XLogP of 5.58, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-chlorophenyl)methyl]imidazol-4-yl]-[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]methanol is sourced from PubChem (CID 16723918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).