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

C13H11ClN4O — CID 114685420

IUPAC(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H11ClN4O/c1-18-11(7-16-17-18)13(19)9-4-5-10(14)8-3-2-6-15-12(8)9/h2-7,13,19H,1H3
InChIKeyOYDYOTJWTRYTRF-UHFFFAOYSA-N
MW274.71 g/mol
LogP2.10
Rot. Bonds2

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

(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol (PubChem CID 114685420) has the molecular formula C13H11ClN4O and a molecular weight of 274.71 g/mol. Its IUPAC name is (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol.

Molecular Properties

Compound Name(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
PubChem CID114685420
Molecular FormulaC13H11ClN4O
Molecular Weight274.71 g/mol
Exact Mass274.06
IUPAC Name(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol
SMILESCn1nncc1C(O)c1ccc(Cl)c2cccnc12
InChIInChI=1S/C13H11ClN4O/c1-18-11(7-16-17-18)13(19)9-4-5-10(14)8-3-2-6-15-12(8)9/h2-7,13,19H,1H3
InChIKeyOYDYOTJWTRYTRF-UHFFFAOYSA-N
XLogP2.10
TPSA63.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5-bromo-3-methyltriazol-4-yl)-(5-chloroquinolin-8-yl)methanol
CID 106461386
(4-chloro-1-ethylpyrazol-5-yl)-(5-chloroquinolin-8-yl)methanol
CID 114638079
(2-chloro-5-fluorophenyl)-(5-chloroquinolin-8-yl)methanol
CID 105394021
(5-chloroquinolin-8-yl)-(cyclohexen-1-yl)methanol
CID 106651543
(2-amino-4-methyl-3-pyridinyl)-(5-chloroquinolin-8-yl)methanol
CID 115960046
1-(5-chloroquinolin-8-yl)-2,2-difluoroethanol
CID 112618208
(3-methyltriazol-4-yl)-pyridin-2-ylmethanol
CID 114684772
1-(5-chloroquinolin-8-yl)-2-phenylethanol
CID 112618238
(3-chloro-2-pyridinyl)-(3-methyltriazol-4-yl)methanamine
CID 103443748
CID 172791001
CID 172791001
(3-chlorophenyl)-(3-methyltriazol-4-yl)methanol
CID 114684801
4-amino-3-(5-chloroquinolin-8-yl)-4-methylpentan-1-ol
CID 112618658

Frequently Asked Questions

What is the IUPAC name of (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol?
The IUPAC name of (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol (CID 114685420) is (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol.
What is the SMILES notation for (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol?
The canonical SMILES for (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol is Cn1nncc1C(O)c1ccc(Cl)c2cccnc12.
What is the InChIKey of (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol?
The InChIKey is OYDYOTJWTRYTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN4O/c1-18-11(7-16-17-18)13(19)9-4-5-10(14)8-3-2-6-15-12(8)9/h2-7,13,19H,1H3.
What are the key properties of (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol?
(5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol has a molecular weight of 274.71 g/mol, XLogP of 2.10, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloroquinolin-8-yl)-(3-methyltriazol-4-yl)methanol is sourced from PubChem (CID 114685420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).