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

C28H22ClFN6O — CID 58722272

IUPAC[5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(F)cc1)c1ccc2c(c1)c(CCc1cccc(Cl)c1)cc1nnnn12
InChIInChI=1S/C28H22ClFN6O/c1-35-17-31-16-26(35)28(37,20-7-10-23(30)11-8-20)21-9-12-25-24(15-21)19(14-27-32-33-34-36(25)27)6-5-18-3-2-4-22(29)13-18/h2-4,7-17,37H,5-6H2,1H3
InChIKeyJPTLITKXHDHCPE-UHFFFAOYSA-N
MW512.98 g/mol
LogP4.87
Rot. Bonds6

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

[5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol (PubChem CID 58722272) has the molecular formula C28H22ClFN6O and a molecular weight of 512.98 g/mol. Its IUPAC name is [5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol.

Molecular Properties

Compound Name[5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
PubChem CID58722272
Molecular FormulaC28H22ClFN6O
Molecular Weight512.98 g/mol
Exact Mass512.15
IUPAC Name[5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol
SMILESCn1cncc1C(O)(c1ccc(F)cc1)c1ccc2c(c1)c(CCc1cccc(Cl)c1)cc1nnnn12
InChIInChI=1S/C28H22ClFN6O/c1-35-17-31-16-26(35)28(37,20-7-10-23(30)11-8-20)21-9-12-25-24(15-21)19(14-27-32-33-34-36(25)27)6-5-18-3-2-4-22(29)13-18/h2-4,7-17,37H,5-6H2,1H3
InChIKeyJPTLITKXHDHCPE-UHFFFAOYSA-N
XLogP4.87
TPSA81.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.98
LogP ≤ 54.87
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-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol?
The IUPAC name of [5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol (CID 58722272) is [5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol.
What is the SMILES notation for [5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol?
The canonical SMILES for [5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol is Cn1cncc1C(O)(c1ccc(F)cc1)c1ccc2c(c1)c(CCc1cccc(Cl)c1)cc1nnnn12.
What is the InChIKey of [5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol?
The InChIKey is JPTLITKXHDHCPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H22ClFN6O/c1-35-17-31-16-26(35)28(37,20-7-10-23(30)11-8-20)21-9-12-25-24(15-21)19(14-27-32-33-34-36(25)27)6-5-18-3-2-4-22(29)13-18/h2-4,7-17,37H,5-6H2,1H3.
What are the key properties of [5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol?
[5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol has a molecular weight of 512.98 g/mol, XLogP of 4.87, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(3-chlorophenyl)ethyl]tetrazolo[1,5-a]quinolin-7-yl]-(4-fluorophenyl)-(3-methylimidazol-4-yl)methanol is sourced from PubChem (CID 58722272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).