3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one

C16H15N3O2 — CID 3384112

IUPAC3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
SMILESCc1noc2c1C(c1cccnc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C16H15N3O2/c1-9-13-14(10-4-3-7-17-8-10)15-11(5-2-6-12(15)20)18-16(13)21-19-9/h3-4,7-8,14,18H,2,5-6H2,1H3
InChIKeyGNRSZZAMGLDIFJ-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.94
Rot. Bonds1

About 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one

3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one (PubChem CID 3384112) has the molecular formula C16H15N3O2 and a molecular weight of 281.31 g/mol. Its IUPAC name is 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one.

Molecular Properties

Compound Name3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
PubChem CID3384112
Molecular FormulaC16H15N3O2
Molecular Weight281.31 g/mol
Exact Mass281.12
IUPAC Name3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one
SMILESCc1noc2c1C(c1cccnc1)C1=C(CCCC1=O)N2
InChIInChI=1S/C16H15N3O2/c1-9-13-14(10-4-3-7-17-8-10)15-11(5-2-6-12(15)20)18-16(13)21-19-9/h3-4,7-8,14,18H,2,5-6H2,1H3
InChIKeyGNRSZZAMGLDIFJ-UHFFFAOYSA-N
XLogP2.94
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The IUPAC name of 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one (CID 3384112) is 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one.
What is the SMILES notation for 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The canonical SMILES for 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one is Cc1noc2c1C(c1cccnc1)C1=C(CCCC1=O)N2.
What is the InChIKey of 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
The InChIKey is GNRSZZAMGLDIFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2/c1-9-13-14(10-4-3-7-17-8-10)15-11(5-2-6-12(15)20)18-16(13)21-19-9/h3-4,7-8,14,18H,2,5-6H2,1H3.
What are the key properties of 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one?
3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one has a molecular weight of 281.31 g/mol, XLogP of 2.94, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-pyridin-3-yl-6,7,8,9-tetrahydro-4H-[1,2]oxazolo[5,4-b]quinolin-5-one is sourced from PubChem (CID 3384112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).