[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol

C26H17ClF2N6O — CID 23388927

IUPAC[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1ccc(F)cc1F
InChIInChI=1S/C26H17ClF2N6O/c1-34-14-30-13-24(34)26(36,21-7-6-18(28)11-22(21)29)16-5-8-23-20(10-16)19(12-25-31-32-33-35(23)25)15-3-2-4-17(27)9-15/h2-14,36H,1H3
InChIKeyMLEKEILYTBTPQL-UHFFFAOYSA-N
MW502.91 g/mol
LogP4.89
Rot. Bonds4

About [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol

[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 23388927) has the molecular formula C26H17ClF2N6O and a molecular weight of 502.91 g/mol. Its IUPAC name is [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID23388927
Molecular FormulaC26H17ClF2N6O
Molecular Weight502.91 g/mol
Exact Mass502.11
IUPAC Name[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1ccc(F)cc1F
InChIInChI=1S/C26H17ClF2N6O/c1-34-14-30-13-24(34)26(36,21-7-6-18(28)11-22(21)29)16-5-8-23-20(10-16)19(12-25-31-32-33-35(23)25)15-3-2-4-17(27)9-15/h2-14,36H,1H3
InChIKeyMLEKEILYTBTPQL-UHFFFAOYSA-N
XLogP4.89
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.91
LogP ≤ 54.89
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-[[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
(4-Chlorophenyl)(2,4-dichloro-3-phenylquinolin-6-yl)(1-methyl-1H-imidazol-5-yl)methanol
CID 90100965

Frequently Asked Questions

What is the IUPAC name of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol (CID 23388927) is [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc2c(c1)c(-c1cccc(Cl)c1)cc1nnnn12)c1ccc(F)cc1F.
What is the InChIKey of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is MLEKEILYTBTPQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H17ClF2N6O/c1-34-14-30-13-24(34)26(36,21-7-6-18(28)11-22(21)29)16-5-8-23-20(10-16)19(12-25-31-32-33-35(23)25)15-3-2-4-17(27)9-15/h2-14,36H,1H3.
What are the key properties of [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol?
[5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 502.91 g/mol, XLogP of 4.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3-chlorophenyl)tetrazolo[1,5-a]quinolin-7-yl]-(2,4-difluorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 23388927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).