3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one

C19H17N3O2 — CID 122537772

IUPAC3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one
SMILESCc1c(-c2cccnc2)c2cc3c(C)noc3c(C)c2n(C)c1=O
InChIInChI=1S/C19H17N3O2/c1-10-16(13-6-5-7-20-9-13)15-8-14-12(3)21-24-18(14)11(2)17(15)22(4)19(10)23/h5-9H,1-4H3
InChIKeyVAECFMLDECQTJL-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.67
Rot. Bonds1

About 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one

3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one (PubChem CID 122537772) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one.

Molecular Properties

Compound Name3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one
PubChem CID122537772
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one
SMILESCc1c(-c2cccnc2)c2cc3c(C)noc3c(C)c2n(C)c1=O
InChIInChI=1S/C19H17N3O2/c1-10-16(13-6-5-7-20-9-13)15-8-14-12(3)21-24-18(14)11(2)17(15)22(4)19(10)23/h5-9H,1-4H3
InChIKeyVAECFMLDECQTJL-UHFFFAOYSA-N
XLogP3.67
TPSA60.92 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one?
The IUPAC name of 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one (CID 122537772) is 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one.
What is the SMILES notation for 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one?
The canonical SMILES for 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one is Cc1c(-c2cccnc2)c2cc3c(C)noc3c(C)c2n(C)c1=O.
What is the InChIKey of 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one?
The InChIKey is VAECFMLDECQTJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c1-10-16(13-6-5-7-20-9-13)15-8-14-12(3)21-24-18(14)11(2)17(15)22(4)19(10)23/h5-9H,1-4H3.
What are the key properties of 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one?
3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one has a molecular weight of 319.36 g/mol, XLogP of 3.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6,8,9-tetramethyl-5-pyridin-3-yl-[1,2]oxazolo[4,5-g]quinolin-7-one is sourced from PubChem (CID 122537772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).