8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one

C14H13NO2S — CID 162368334

IUPAC8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCC(C)Oc1ccc2c(=O)[nH]c3sccc3c2c1
InChIInChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16)
InChIKeyRRNITWOICYYQGQ-UHFFFAOYSA-N
MW259.33 g/mol
LogP3.53
Rot. Bonds2

About 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one

8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 162368334) has the molecular formula C14H13NO2S and a molecular weight of 259.33 g/mol. Its IUPAC name is 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one
PubChem CID162368334
Molecular FormulaC14H13NO2S
Molecular Weight259.33 g/mol
Exact Mass259.07
IUPAC Name8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESCC(C)Oc1ccc2c(=O)[nH]c3sccc3c2c1
InChIInChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16)
InChIKeyRRNITWOICYYQGQ-UHFFFAOYSA-N
XLogP3.53
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.33
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

8-methoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 58024740
8-oxidanyl-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 161231673
8-ethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368296
2-(2-(2,3-Dihydrobenzo[b][1,4]dioxin-6-yl)acetamido)thiophene-3-carboxamide
CID 46926712
8-phenylmethoxy-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368286
8-[(3-bromophenyl)methoxy]-4~{H}-thieno[2,3-c]isoquinolin-5-one
CID 162368287
2-(2-(3-Methoxyphenyl)acetamido)thiophene-3-carboxamide
CID 16911507
N-(4-Oxo-4H-thieno[3,4-c]chromen-3-yl)acetamide
CID 612354
N-(3-cyanothiophen-2-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 2809631
2-(4-Ethoxybenzamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
CID 747043
2-(4-Butoxybenzamido)thiophene-3-carboxamide
CID 7167000
N-(4-ethoxybenzyl)-7-methyl-4,5,6,7-tetrahydrothieno[2,3-b]pyridine-2-carboxamide
CID 53165463

Frequently Asked Questions

What is the IUPAC name of 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one (CID 162368334) is 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one is CC(C)Oc1ccc2c(=O)[nH]c3sccc3c2c1.
What is the InChIKey of 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is RRNITWOICYYQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO2S/c1-8(2)17-9-3-4-10-12(7-9)11-5-6-18-14(11)15-13(10)16/h3-8H,1-2H3,(H,15,16).
What are the key properties of 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one?
8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 259.33 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-propan-2-yloxy-4H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 162368334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).