8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one

C15H19NO3 — CID 82174151

IUPAC8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(C(O)C3CCCO3)c1)NC(=O)CC2
InChIInChI=1S/C15H19NO3/c1-9-7-10-4-5-13(17)16-14(10)11(8-9)15(18)12-3-2-6-19-12/h7-8,12,15,18H,2-6H2,1H3,(H,16,17)
InChIKeyNSXJIUXMJBGTEP-UHFFFAOYSA-N
MW261.32 g/mol
LogP2.09
Rot. Bonds2

About 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one

8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one (PubChem CID 82174151) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one.

Molecular Properties

Compound Name8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
PubChem CID82174151
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one
SMILESCc1cc2c(c(C(O)C3CCCO3)c1)NC(=O)CC2
InChIInChI=1S/C15H19NO3/c1-9-7-10-4-5-13(17)16-14(10)11(8-9)15(18)12-3-2-6-19-12/h7-8,12,15,18H,2-6H2,1H3,(H,16,17)
InChIKeyNSXJIUXMJBGTEP-UHFFFAOYSA-N
XLogP2.09
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The IUPAC name of 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one (CID 82174151) is 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one.
What is the SMILES notation for 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The canonical SMILES for 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one is Cc1cc2c(c(C(O)C3CCCO3)c1)NC(=O)CC2.
What is the InChIKey of 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
The InChIKey is NSXJIUXMJBGTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO3/c1-9-7-10-4-5-13(17)16-14(10)11(8-9)15(18)12-3-2-6-19-12/h7-8,12,15,18H,2-6H2,1H3,(H,16,17).
What are the key properties of 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one?
8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one has a molecular weight of 261.32 g/mol, XLogP of 2.09, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[hydroxy(oxolan-2-yl)methyl]-6-methyl-3,4-dihydro-1H-quinolin-2-one is sourced from PubChem (CID 82174151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).