3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one

C15H19NO4 — CID 139717812

IUPAC3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
SMILESCOc1c(OC)c2ccc(OC(C)C)cc2n(C)c1=O
InChIInChI=1S/C15H19NO4/c1-9(2)20-10-6-7-11-12(8-10)16(3)15(17)14(19-5)13(11)18-4/h6-9H,1-5H3
InChIKeyBPOIDEISVLUDCN-UHFFFAOYSA-N
MW277.32 g/mol
LogP2.34
Rot. Bonds4

About 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one

3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one (PubChem CID 139717812) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one.

Molecular Properties

Compound Name3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
PubChem CID139717812
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Name3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
SMILESCOc1c(OC)c2ccc(OC(C)C)cc2n(C)c1=O
InChIInChI=1S/C15H19NO4/c1-9(2)20-10-6-7-11-12(8-10)16(3)15(17)14(19-5)13(11)18-4/h6-9H,1-5H3
InChIKeyBPOIDEISVLUDCN-UHFFFAOYSA-N
XLogP2.34
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717841
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139717468
3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
CID 139718425
3,7-dimethoxy-1-octyl-4-propan-2-yloxyquinolin-2-one
CID 139717374
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
3,4,7-tributoxy-1-methylquinolin-2-one
CID 139717073

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one?
The IUPAC name of 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one (CID 139717812) is 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one.
What is the SMILES notation for 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one?
The canonical SMILES for 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one is COc1c(OC)c2ccc(OC(C)C)cc2n(C)c1=O.
What is the InChIKey of 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one?
The InChIKey is BPOIDEISVLUDCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO4/c1-9(2)20-10-6-7-11-12(8-10)16(3)15(17)14(19-5)13(11)18-4/h6-9H,1-5H3.
What are the key properties of 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one?
3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one has a molecular weight of 277.32 g/mol, XLogP of 2.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one is sourced from PubChem (CID 139717812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).