6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one

C14H17NO3 — CID 154591387

IUPAC6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
SMILESCOc1cc2cc(C(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C14H17NO3/c1-8(2)10-5-9-6-12(17-3)13(18-4)7-11(9)15-14(10)16/h5-8H,1-4H3,(H,15,16)
InChIKeyHFMHDWOKVOFABJ-UHFFFAOYSA-N
MW247.29 g/mol
LogP2.67
Rot. Bonds3

About 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one

6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one (PubChem CID 154591387) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one.

Molecular Properties

Compound Name6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
PubChem CID154591387
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one
SMILESCOc1cc2cc(C(C)C)c(=O)[nH]c2cc1OC
InChIInChI=1S/C14H17NO3/c1-8(2)10-5-9-6-12(17-3)13(18-4)7-11(9)15-14(10)16/h5-8H,1-4H3,(H,15,16)
InChIKeyHFMHDWOKVOFABJ-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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Related Compounds

7-methoxy-3-propan-2-yl-6-(trifluoromethoxy)-1H-quinolin-2-one
CID 154974776
3-ethyl-7-methoxy-6-propan-2-yl-1H-quinolin-2-one
CID 154974543
CID 154597526
CID 154597526
6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxylic acid
CID 22649364
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-2-methylpropanamide
CID 110324984
6,7-dimethoxy-4-propan-2-yl-1H-quinolin-2-one
CID 167049049
6-chloro-7-(cyclobutylmethoxy)-3-propan-2-yl-1H-quinolin-2-one
CID 154591424
3-(3-fluorophenyl)-6,7-dimethoxy-1H-quinolin-2-one
CID 176902560
N-[(2-methoxyphenyl)methyl]-2-(2-oxo-3-propan-2-yl-1H-quinolin-6-yl)acetamide
CID 110675548
5,6-dimethoxy-2-methyl-1H-indole;ethane
CID 171088058
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-(2-methylpropyl)propanamide
CID 110298935
3-[(1-tert-butyltetrazol-5-yl)-pyrrolidin-1-ylmethyl]-6,7-dimethoxy-1H-quinolin-2-one
CID 3187836

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one?
The IUPAC name of 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one (CID 154591387) is 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one.
What is the SMILES notation for 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one?
The canonical SMILES for 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one is COc1cc2cc(C(C)C)c(=O)[nH]c2cc1OC.
What is the InChIKey of 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one?
The InChIKey is HFMHDWOKVOFABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO3/c1-8(2)10-5-9-6-12(17-3)13(18-4)7-11(9)15-14(10)16/h5-8H,1-4H3,(H,15,16).
What are the key properties of 6,7-dimethoxy-3-propan-2-yl-1H-quinolin-2-one?
6,7-dimethoxy-3-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-3-propan-2-yl-1H-quinolin-2-one is sourced from PubChem (CID 154591387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).