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

C18H13NO2S — CID 162368286

IUPAC8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESO=c1[nH]c2sccc2c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20)
InChIKeyDQIYFADDZCXPMK-UHFFFAOYSA-N
MW307.37 g/mol
LogP4.32
Rot. Bonds3

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

8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one (PubChem CID 162368286) has the molecular formula C18H13NO2S and a molecular weight of 307.37 g/mol. Its IUPAC name is 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one.

Molecular Properties

Compound Name8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one
PubChem CID162368286
Molecular FormulaC18H13NO2S
Molecular Weight307.37 g/mol
Exact Mass307.07
IUPAC Name8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one
SMILESO=c1[nH]c2sccc2c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20)
InChIKeyDQIYFADDZCXPMK-UHFFFAOYSA-N
XLogP4.32
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dihydroxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139717983
ethane;7-phenylmethoxy-3H-quinazolin-4-one
CID 136656815
(4-methoxy-2-oxo-7-phenylmethoxy-1H-quinolin-3-yl) acetate
CID 139716952
1-(3-methyl-5-phenylmethoxy-1H-indol-2-yl)propan-1-one
CID 143156217
6-phenylmethoxy-3-[4-(trifluoromethoxy)phenyl]-2H-phthalazine-1,4-dione
CID 138585684
2,6-bis(phenylmethoxy)anthracene-9,10-dione
CID 147621413
4-butoxy-3-octoxy-7-phenylmethoxy-1H-quinolin-2-one
CID 139718526
4-methyl-7-phenylmethoxychromen-2-one
CID 728520
5,15-bis(phenylmethoxy)-9,19-dithiophen-2-yl-1,11-diazahexacyclo[9.9.2.02,7.08,21.012,17.018,22]docosa-2(7),3,5,8,12(17),13,15,18,21-nonaene-10,20-dione
CID 135345713
3-(5-phenylmethoxy-1-benzothiophen-3-yl)propanoic acid
CID 19696816
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
6,16,26-tris(phenylmethoxy)-10,20,30-triazaheptacyclo[21.7.0.03,11.04,9.013,21.014,19.024,29]triaconta-1(23),3(11),4(9),5,7,13(21),14(19),15,17,24(29),25,27-dodecaene
CID 101011137

Frequently Asked Questions

What is the IUPAC name of 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The IUPAC name of 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one (CID 162368286) is 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one.
What is the SMILES notation for 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The canonical SMILES for 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one is O=c1[nH]c2sccc2c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
The InChIKey is DQIYFADDZCXPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13NO2S/c20-17-14-7-6-13(21-11-12-4-2-1-3-5-12)10-16(14)15-8-9-22-18(15)19-17/h1-10H,11H2,(H,19,20).
What are the key properties of 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one?
8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one has a molecular weight of 307.37 g/mol, XLogP of 4.32, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-phenylmethoxy-4H-thieno[2,3-c]isoquinolin-5-one is sourced from PubChem (CID 162368286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).