5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol

C14H13N3OS — CID 5169618

IUPAC5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol
SMILESCn1ccnc1SCc1ccc(O)c2ncccc12
InChIInChI=1S/C14H13N3OS/c1-17-8-7-16-14(17)19-9-10-4-5-12(18)13-11(10)3-2-6-15-13/h2-8,18H,9H2,1H3
InChIKeySAIBXUTYNNQGHV-UHFFFAOYSA-N
MW271.35 g/mol
LogP2.97
Rot. Bonds3

About 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol

5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol (PubChem CID 5169618) has the molecular formula C14H13N3OS and a molecular weight of 271.35 g/mol. Its IUPAC name is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol.

Molecular Properties

Compound Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol
PubChem CID5169618
Molecular FormulaC14H13N3OS
Molecular Weight271.35 g/mol
Exact Mass271.08
IUPAC Name5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol
SMILESCn1ccnc1SCc1ccc(O)c2ncccc12
InChIInChI=1S/C14H13N3OS/c1-17-8-7-16-14(17)19-9-10-4-5-12(18)13-11(10)3-2-6-15-13/h2-8,18H,9H2,1H3
InChIKeySAIBXUTYNNQGHV-UHFFFAOYSA-N
XLogP2.97
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol?
The IUPAC name of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol (CID 5169618) is 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol.
What is the SMILES notation for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol?
The canonical SMILES for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol is Cn1ccnc1SCc1ccc(O)c2ncccc12.
What is the InChIKey of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol?
The InChIKey is SAIBXUTYNNQGHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-17-8-7-16-14(17)19-9-10-4-5-12(18)13-11(10)3-2-6-15-13/h2-8,18H,9H2,1H3.
What are the key properties of 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol?
5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol has a molecular weight of 271.35 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1-methylimidazol-2-yl)sulfanylmethyl]quinolin-8-ol is sourced from PubChem (CID 5169618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).