(1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one

C15H11N3O2S — CID 137091128

IUPAC(1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one
SMILESCC1O/C(=N\c2nccs2)c2c1[nH]c1ccccc1c2=O
InChIInChI=1S/C15H11N3O2S/c1-8-12-11(14(20-8)18-15-16-6-7-21-15)13(19)9-4-2-3-5-10(9)17-12/h2-8H,1H3,(H,17,19)/b18-14-
InChIKeyQDAYCTRBLKUCGJ-JXAWBTAJSA-N
MW297.34 g/mol
LogP3.15
Rot. Bonds1

About (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one

(1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one (PubChem CID 137091128) has the molecular formula C15H11N3O2S and a molecular weight of 297.34 g/mol. Its IUPAC name is (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one.

Molecular Properties

Compound Name(1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one
PubChem CID137091128
Molecular FormulaC15H11N3O2S
Molecular Weight297.34 g/mol
Exact Mass297.06
IUPAC Name(1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one
SMILESCC1O/C(=N\c2nccs2)c2c1[nH]c1ccccc1c2=O
InChIInChI=1S/C15H11N3O2S/c1-8-12-11(14(20-8)18-15-16-6-7-21-15)13(19)9-4-2-3-5-10(9)17-12/h2-8H,1H3,(H,17,19)/b18-14-
InChIKeyQDAYCTRBLKUCGJ-JXAWBTAJSA-N
XLogP3.15
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one?
The IUPAC name of (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one (CID 137091128) is (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one.
What is the SMILES notation for (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one?
The canonical SMILES for (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one is CC1O/C(=N\c2nccs2)c2c1[nH]c1ccccc1c2=O.
What is the InChIKey of (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one?
The InChIKey is QDAYCTRBLKUCGJ-JXAWBTAJSA-N. The full InChI is InChI=1S/C15H11N3O2S/c1-8-12-11(14(20-8)18-15-16-6-7-21-15)13(19)9-4-2-3-5-10(9)17-12/h2-8H,1H3,(H,17,19)/b18-14-.
What are the key properties of (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one?
(1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one has a molecular weight of 297.34 g/mol, XLogP of 3.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-3-methyl-1-(1,3-thiazol-2-ylimino)-3,4-dihydrofuro[3,4-b]quinolin-9-one is sourced from PubChem (CID 137091128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).