(2-chloroquinolin-3-yl)-thiophen-2-ylmethanol

C14H10ClNOS — CID 155524820

IUPAC(2-chloroquinolin-3-yl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1cc2ccccc2nc1Cl
InChIInChI=1S/C14H10ClNOS/c15-14-10(13(17)12-6-3-7-18-12)8-9-4-1-2-5-11(9)16-14/h1-8,13,17H
InChIKeyGCSPPESXDKZVCM-UHFFFAOYSA-N
MW275.76 g/mol
LogP4.03
Rot. Bonds2

About (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol

(2-chloroquinolin-3-yl)-thiophen-2-ylmethanol (PubChem CID 155524820) has the molecular formula C14H10ClNOS and a molecular weight of 275.76 g/mol. Its IUPAC name is (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol.

Molecular Properties

Compound Name(2-chloroquinolin-3-yl)-thiophen-2-ylmethanol
PubChem CID155524820
Molecular FormulaC14H10ClNOS
Molecular Weight275.76 g/mol
Exact Mass275.02
IUPAC Name(2-chloroquinolin-3-yl)-thiophen-2-ylmethanol
SMILESOC(c1cccs1)c1cc2ccccc2nc1Cl
InChIInChI=1S/C14H10ClNOS/c15-14-10(13(17)12-6-3-7-18-12)8-9-4-1-2-5-11(9)16-14/h1-8,13,17H
InChIKeyGCSPPESXDKZVCM-UHFFFAOYSA-N
XLogP4.03
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.76
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol?
The IUPAC name of (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol (CID 155524820) is (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol.
What is the SMILES notation for (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol?
The canonical SMILES for (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol is OC(c1cccs1)c1cc2ccccc2nc1Cl.
What is the InChIKey of (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol?
The InChIKey is GCSPPESXDKZVCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClNOS/c15-14-10(13(17)12-6-3-7-18-12)8-9-4-1-2-5-11(9)16-14/h1-8,13,17H.
What are the key properties of (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol?
(2-chloroquinolin-3-yl)-thiophen-2-ylmethanol has a molecular weight of 275.76 g/mol, XLogP of 4.03, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloroquinolin-3-yl)-thiophen-2-ylmethanol is sourced from PubChem (CID 155524820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).