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

C27H20Cl2N6O2 — CID 23388967

IUPAC(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(CO)c1nnnn12
InChIInChI=1S/C27H20Cl2N6O2/c1-34-15-30-13-24(34)27(37,17-5-8-19(28)9-6-17)18-7-10-23-21(12-18)25(16-3-2-4-20(29)11-16)22(14-36)26-31-32-33-35(23)26/h2-13,15,36-37H,14H2,1H3
InChIKeyPTJJCPHRQYNDBP-UHFFFAOYSA-N
MW531.40 g/mol
LogP4.76
Rot. Bonds5

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

(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol (PubChem CID 23388967) has the molecular formula C27H20Cl2N6O2 and a molecular weight of 531.40 g/mol. Its IUPAC name is (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
PubChem CID23388967
Molecular FormulaC27H20Cl2N6O2
Molecular Weight531.40 g/mol
Exact Mass530.10
IUPAC Name(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(CO)c1nnnn12
InChIInChI=1S/C27H20Cl2N6O2/c1-34-15-30-13-24(34)27(37,17-5-8-19(28)9-6-17)18-7-10-23-21(12-18)25(16-3-2-4-20(29)11-16)22(14-36)26-31-32-33-35(23)26/h2-13,15,36-37H,14H2,1H3
InChIKeyPTJJCPHRQYNDBP-UHFFFAOYSA-N
XLogP4.76
TPSA101.36 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500531.40
LogP ≤ 54.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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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
4-[[5-[[5-(3-Chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-hydroxymethyl]imidazol-1-yl]methyl]benzonitrile
CID 16724146
(3-(4-(1H-Pyrazol-1-yl)benzyl)-4-chloro-2-methoxyquinolin-6-yl)(4-chlorophenyl)(1-methyl-1H-imidazol-5-yl)methanol
CID 74220546
(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
[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
(4-Chlorophenyl)(2,4-dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)methanol
CID 90100965
(2,4-Dichloro-3-phenylquinolin-6-yl)-(3-methylimidazol-4-yl)-pyridin-2-ylmethanol
CID 90101666

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol?
The IUPAC name of (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol (CID 23388967) is (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(Cl)cc1)c1ccc2c(c1)c(-c1cccc(Cl)c1)c(CO)c1nnnn12.
What is the InChIKey of (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol?
The InChIKey is PTJJCPHRQYNDBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H20Cl2N6O2/c1-34-15-30-13-24(34)27(37,17-5-8-19(28)9-6-17)18-7-10-23-21(12-18)25(16-3-2-4-20(29)11-16)22(14-36)26-31-32-33-35(23)26/h2-13,15,36-37H,14H2,1H3.
What are the key properties of (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol?
(4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol has a molecular weight of 531.40 g/mol, XLogP of 4.76, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[5-(3-chlorophenyl)-4-(hydroxymethyl)tetrazolo[1,5-a]quinolin-7-yl]-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 23388967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).