(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol

C32H22Cl2N6O — CID 23388948

IUPAC(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccccc1)c1nnnn12
InChIInChI=1S/C32H22Cl2N6O/c1-39-19-35-18-28(39)32(41,22-10-13-24(33)14-11-22)23-12-15-27-26(17-23)29(21-8-5-9-25(34)16-21)30(20-6-3-2-4-7-20)31-36-37-38-40(27)31/h2-19,41H,1H3
InChIKeyASQGDGGDKHJMIB-UHFFFAOYSA-N
MW577.48 g/mol
LogP6.94
Rot. Bonds5

About (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol

(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 23388948) has the molecular formula C32H22Cl2N6O and a molecular weight of 577.48 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID23388948
Molecular FormulaC32H22Cl2N6O
Molecular Weight577.48 g/mol
Exact Mass576.12
IUPAC Name(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccccc1)c1nnnn12
InChIInChI=1S/C32H22Cl2N6O/c1-39-19-35-18-28(39)32(41,22-10-13-24(33)14-11-22)23-12-15-27-26(17-23)29(21-8-5-9-25(34)16-21)30(20-6-3-2-4-7-20)31-36-37-38-40(27)31/h2-19,41H,1H3
InChIKeyASQGDGGDKHJMIB-UHFFFAOYSA-N
XLogP6.94
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500577.48
LogP ≤ 56.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-(2-methyl-4-pyridinyl)methanol
CID 74222221
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-quinolin-4-ylmethanol
CID 117869728
[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinazolin-7-yl]-(5-chlorothiophen-2-yl)-(3-methylimidazol-4-yl)methanol
CID 9892477
(4-chlorophenyl)(5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl)(1-methyl-1H-imidazol-5-yl)methanamine
CID 9935716
4-[[5-[[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 16724146
(3-Benzyl-2,4-dichloroquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74221196
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-3-ylmethanol
CID 74222048
(4-Chlorophenyl)-(2,4-dichloro-3-phenylquinolin-6-yl)-(2,3-dimethylimidazol-4-yl)methanol
CID 74222808
(2,4-Dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)(pyridin-4-yl)methanol
CID 74222810
[2-Chloro-4-(dimethylamino)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 86716113
[4-Chloro-2-(diethylamino)-3-phenylquinolin-6-yl]-(3-methylimidazol-4-yl)-pyridin-4-ylmethanol
CID 86716129
(4-Chlorophenyl)(1-methyl-1H-imidazol-5-yl)(3-phenyl-2,4-bis(trifluoromethyl)quinolin-6-yl)methanol
CID 86716130

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol (CID 23388948) is (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(-c1ccccc1)c1nnnn12.
What is the InChIKey of (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is ASQGDGGDKHJMIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22Cl2N6O/c1-39-19-35-18-28(39)32(41,22-10-13-24(33)14-11-22)23-12-15-27-26(17-23)29(21-8-5-9-25(34)16-21)30(20-6-3-2-4-7-20)31-36-37-38-40(27)31/h2-19,41H,1H3.
What are the key properties of (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 577.48 g/mol, XLogP of 6.94, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3-chlorophenyl)-4-phenyltetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 23388948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).