8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one

C25H21NO2S — CID 53362608

IUPAC8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
SMILESO=c1c2c([nH]c3ccc(-c4ccc(COc5ccccc5)cc4)cc13)CCSC2
InChIInChI=1S/C25H21NO2S/c27-25-21-14-19(10-11-23(21)26-24-12-13-29-16-22(24)25)18-8-6-17(7-9-18)15-28-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,26,27)
InChIKeyQWEMQPWTSPQYCL-UHFFFAOYSA-N
MW399.52 g/mol
LogP5.56
Rot. Bonds4

About 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one

8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one (PubChem CID 53362608) has the molecular formula C25H21NO2S and a molecular weight of 399.52 g/mol. Its IUPAC name is 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one.

Molecular Properties

Compound Name8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
PubChem CID53362608
Molecular FormulaC25H21NO2S
Molecular Weight399.52 g/mol
Exact Mass399.13
IUPAC Name8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one
SMILESO=c1c2c([nH]c3ccc(-c4ccc(COc5ccccc5)cc4)cc13)CCSC2
InChIInChI=1S/C25H21NO2S/c27-25-21-14-19(10-11-23(21)26-24-12-13-29-16-22(24)25)18-8-6-17(7-9-18)15-28-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,26,27)
InChIKeyQWEMQPWTSPQYCL-UHFFFAOYSA-N
XLogP5.56
TPSA42.09 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.52
LogP ≤ 55.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-methyl-3-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydro-1H-quinolin-4-one
CID 168796540
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
2-phenylmethoxy-7,8,9,10-tetrahydro-5H-cyclohepta[b]indol-6-one
CID 40628715
7-[4-(trifluoromethyl)phenyl]-2,3,4,10-tetrahydro-1H-acridin-9-one
CID 53362611
2-nitro-7-phenylmethoxy-10H-acridin-9-one
CID 66572851
6-(dimethylamino)-2-(4-phenylmethoxyphenyl)-1H-quinolin-4-one
CID 66659280
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
3-amino-2-cyclopropyl-6-[4-(phenoxymethyl)phenyl]quinazolin-4-one
CID 176686082
1-fluoro-4-(phenoxymethyl)benzene
CID 957495
4-phenoxy-6-phenyl-1H-quinolin-2-one
CID 59237326
3-methyl-6-phenylmethoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
CID 22018514
9-(1-benzylpiperidin-4-yl)oxy-1,2,4,6-tetrahydrothiopyrano[3,4-c]quinolin-5-one;hydrochloride
CID 42607060

Frequently Asked Questions

What is the IUPAC name of 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The IUPAC name of 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one (CID 53362608) is 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one.
What is the SMILES notation for 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The canonical SMILES for 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one is O=c1c2c([nH]c3ccc(-c4ccc(COc5ccccc5)cc4)cc13)CCSC2.
What is the InChIKey of 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
The InChIKey is QWEMQPWTSPQYCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21NO2S/c27-25-21-14-19(10-11-23(21)26-24-12-13-29-16-22(24)25)18-8-6-17(7-9-18)15-28-20-4-2-1-3-5-20/h1-11,14H,12-13,15-16H2,(H,26,27).
What are the key properties of 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one?
8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one has a molecular weight of 399.52 g/mol, XLogP of 5.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[4-(phenoxymethyl)phenyl]-1,3,4,5-tetrahydrothiopyrano[4,3-b]quinolin-10-one is sourced from PubChem (CID 53362608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).