(1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone

C14H8ClNO2S — CID 137243649

IUPAC(1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c(O)ccc2c(Cl)nccc12
InChIInChI=1S/C14H8ClNO2S/c15-14-9-3-4-10(17)12(8(9)5-6-16-14)13(18)11-2-1-7-19-11/h1-7,17H
InChIKeyKOKFCIMGSDMFMD-UHFFFAOYSA-N
MW289.74 g/mol
LogP3.89
Rot. Bonds2

About (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone

(1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone (PubChem CID 137243649) has the molecular formula C14H8ClNO2S and a molecular weight of 289.74 g/mol. Its IUPAC name is (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone
PubChem CID137243649
Molecular FormulaC14H8ClNO2S
Molecular Weight289.74 g/mol
Exact Mass289.00
IUPAC Name(1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)c1c(O)ccc2c(Cl)nccc12
InChIInChI=1S/C14H8ClNO2S/c15-14-9-3-4-10(17)12(8(9)5-6-16-14)13(18)11-2-1-7-19-11/h1-7,17H
InChIKeyKOKFCIMGSDMFMD-UHFFFAOYSA-N
XLogP3.89
TPSA50.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3-chloro-2-pyridinyl)-thiophen-2-ylmethanone
CID 103443291
isoquinolin-1-yl(thiophen-2-yl)methanone
CID 4738060
(4-chloro-1H-pyrrolo[2,3-b]pyridin-3-yl)-thiophen-2-ylmethanone
CID 115512654
(3-chlorothiophen-2-yl)-thiophen-2-ylmethanone
CID 80529755
dithiophen-2-ylmethanone;2-thiophen-2-ylthiophene
CID 161486915
2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide
CID 140967202
(2,5-dichloro-4-ethylthiophen-3-yl)-thiophen-2-ylmethanone
CID 71444247
(3-chloro-6-ethoxy-2,4-dimethylphenyl)-thiophen-2-ylmethanone
CID 82053341
sodium;6-chloro-5-fluoro-2-hydroxy-3-(thiophene-2-carbonyl)indole-1-carboxamide;hydride
CID 173323658
(2-chlorothieno[3,2-d]pyrimidin-4-yl)-thiophen-2-ylmethanone
CID 22674463
(3-ethyl-2-pyridinyl)-thiophen-2-ylmethanone
CID 82730250
4-hydroxy-6-methyl-3-(thiophene-2-carbonyl)-1H-quinolin-2-one
CID 139646774

Frequently Asked Questions

What is the IUPAC name of (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone?
The IUPAC name of (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone (CID 137243649) is (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone?
The canonical SMILES for (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone is O=C(c1cccs1)c1c(O)ccc2c(Cl)nccc12.
What is the InChIKey of (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone?
The InChIKey is KOKFCIMGSDMFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClNO2S/c15-14-9-3-4-10(17)12(8(9)5-6-16-14)13(18)11-2-1-7-19-11/h1-7,17H.
What are the key properties of (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone?
(1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone has a molecular weight of 289.74 g/mol, XLogP of 3.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-6-hydroxyisoquinolin-5-yl)-thiophen-2-ylmethanone is sourced from PubChem (CID 137243649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).