6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one

C14H17NO3 — CID 167049049

IUPAC6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)cc(C(C)C)c2cc1OC
InChIInChI=1S/C14H17NO3/c1-8(2)9-6-14(16)15-11-7-13(18-4)12(17-3)5-10(9)11/h5-8H,1-4H3,(H,15,16)
InChIKeySXNXOZLYXVJJNW-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.67
Rot. Bonds3

About 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one

6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one (PubChem CID 167049049) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
PubChem CID167049049
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
SMILESCOc1cc2[nH]c(=O)cc(C(C)C)c2cc1OC
InChIInChI=1S/C14H17NO3/c1-8(2)9-6-14(16)15-11-7-13(18-4)12(17-3)5-10(9)11/h5-8H,1-4H3,(H,15,16)
InChIKeySXNXOZLYXVJJNW-UHFFFAOYSA-N
XLogP2.67
TPSA51.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one (CID 167049049) is 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one is COc1cc2[nH]c(=O)cc(C(C)C)c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one?
The InChIKey is SXNXOZLYXVJJNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8(2)9-6-14(16)15-11-7-13(18-4)12(17-3)5-10(9)11/h5-8H,1-4H3,(H,15,16).
What are the key properties of 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one?
6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one has a molecular weight of 247.29 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 167049049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).