(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol

C13H10BrClN4O — CID 106461386

IUPAC(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H10BrClN4O/c1-19-11(13(14)17-18-19)12(20)8-4-5-9(15)7-3-2-6-16-10(7)8/h2-6,12,20H,1H3
InChIKeyRWXCMSRMGBTTOW-UHFFFAOYSA-N
MW353.61 g/mol
LogP2.86
Rot. Bonds2

About (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol

(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol (PubChem CID 106461386) has the molecular formula C13H10BrClN4O and a molecular weight of 353.61 g/mol. Its IUPAC name is (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol.

Molecular Properties

Compound Name(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol
PubChem CID106461386
Molecular FormulaC13H10BrClN4O
Molecular Weight353.61 g/mol
Exact Mass351.97
IUPAC Name(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol
SMILESCn1nnc(Br)c1C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H10BrClN4O/c1-19-11(13(14)17-18-19)12(20)8-4-5-9(15)7-3-2-6-16-10(7)8/h2-6,12,20H,1H3
InChIKeyRWXCMSRMGBTTOW-UHFFFAOYSA-N
XLogP2.86
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.61
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
CID 114685420
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
CID 114638079
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
CID 115960046
(5-bromo-3-methyltriazol-4-yl)-(4-chlorophenyl)methanol
CID 106461142
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
(5-bromo-3-methyltriazol-4-yl)-(2-fluoro-3-methylphenyl)methanol
CID 106465421
(5-bromo-3-methyltriazol-4-yl)-(4-fluoro-2-iodophenyl)methanol
CID 114030491
(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
CID 106651543
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
(2-amino-5-bromophenyl)-(5-bromo-3-methyltriazol-4-yl)methanol
CID 106461945
(5-bromo-3-methyltriazol-4-yl)-(2,4-dimethoxyphenyl)methanol
CID 106461135

Frequently Asked Questions

What is the IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol?
The IUPAC name of (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol (CID 106461386) is (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol.
What is the SMILES notation for (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol?
The canonical SMILES for (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol is Cn1nnc(Br)c1C(O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol?
The InChIKey is RWXCMSRMGBTTOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrClN4O/c1-19-11(13(14)17-18-19)12(20)8-4-5-9(15)7-3-2-6-16-10(7)8/h2-6,12,20H,1H3.
What are the key properties of (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol?
(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol has a molecular weight of 353.61 g/mol, XLogP of 2.86, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol is sourced from PubChem (CID 106461386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).