1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one

C17H16N2O4S — CID 59397976

IUPAC1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one
SMILESCOc1ccc2c(-c3nccs3)cc(=O)n(CC3OCCO3)c2c1
InChIInChI=1S/C17H16N2O4S/c1-21-11-2-3-12-13(17-18-4-7-24-17)9-15(20)19(14(12)8-11)10-16-22-5-6-23-16/h2-4,7-9,16H,5-6,10H2,1H3
InChIKeyXDWZBNMWEHSKQY-UHFFFAOYSA-N
MW344.39 g/mol
LogP2.51
Rot. Bonds4

About 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one

1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one (PubChem CID 59397976) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one.

Molecular Properties

Compound Name1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one
PubChem CID59397976
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Name1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one
SMILESCOc1ccc2c(-c3nccs3)cc(=O)n(CC3OCCO3)c2c1
InChIInChI=1S/C17H16N2O4S/c1-21-11-2-3-12-13(17-18-4-7-24-17)9-15(20)19(14(12)8-11)10-16-22-5-6-23-16/h2-4,7-9,16H,5-6,10H2,1H3
InChIKeyXDWZBNMWEHSKQY-UHFFFAOYSA-N
XLogP2.51
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one?
The IUPAC name of 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one (CID 59397976) is 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one.
What is the SMILES notation for 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one?
The canonical SMILES for 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one is COc1ccc2c(-c3nccs3)cc(=O)n(CC3OCCO3)c2c1.
What is the InChIKey of 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one?
The InChIKey is XDWZBNMWEHSKQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-21-11-2-3-12-13(17-18-4-7-24-17)9-15(20)19(14(12)8-11)10-16-22-5-6-23-16/h2-4,7-9,16H,5-6,10H2,1H3.
What are the key properties of 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one?
1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one has a molecular weight of 344.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dioxolan-2-ylmethyl)-7-methoxy-4-(1,3-thiazol-2-yl)quinolin-2-one is sourced from PubChem (CID 59397976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).