4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one

C14H17NO4 — CID 139717841

IUPAC4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
SMILESCOc1c(O)c2ccc(OC(C)C)cc2n(C)c1=O
InChIInChI=1S/C14H17NO4/c1-8(2)19-9-5-6-10-11(7-9)15(3)14(17)13(18-4)12(10)16/h5-8,16H,1-4H3
InChIKeyHVRRAEAHCHZUAR-UHFFFAOYSA-N
MW263.29 g/mol
LogP2.04
Rot. Bonds3

About 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one

4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one (PubChem CID 139717841) has the molecular formula C14H17NO4 and a molecular weight of 263.29 g/mol. Its IUPAC name is 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one.

Molecular Properties

Compound Name4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
PubChem CID139717841
Molecular FormulaC14H17NO4
Molecular Weight263.29 g/mol
Exact Mass263.12
IUPAC Name4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
SMILESCOc1c(O)c2ccc(OC(C)C)cc2n(C)c1=O
InChIInChI=1S/C14H17NO4/c1-8(2)19-9-5-6-10-11(7-9)15(3)14(17)13(18-4)12(10)16/h5-8,16H,1-4H3
InChIKeyHVRRAEAHCHZUAR-UHFFFAOYSA-N
XLogP2.04
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dimethoxy-1-methyl-7-propan-2-yloxyquinolin-2-one
CID 139717812
4-hydroxy-3,7-dimethoxy-1-methylquinolin-2-one
CID 54737447
3-butoxy-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717157
3,4,7-trimethoxy-1-methylquinolin-2-one
CID 20676861
4-methoxy-1-methyl-7-phenylmethoxy-3-propan-2-yloxyquinolin-2-one
CID 139717468
3,8-dimethoxy-5-methylphenanthridin-6-one
CID 164597930
2-(1,2-dimethyl-4-oxo-7-propan-2-yloxyquinolin-3-yl)acetic acid
CID 82250478
3-[(2E)-3,7-dimethylocta-2,6-dienoxy]-4-hydroxy-7-methoxy-1-methylquinolin-2-one
CID 139717305
3,7-dimethoxy-1-octyl-4-propan-2-yloxyquinolin-2-one
CID 139717374
[7-(2,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinolin-3-yl] acetate
CID 174779481
methyl 7-(3,5-dichlorophenoxy)-4-hydroxy-1-methyl-2-oxoquinoline-3-carboxylate
CID 130194527
4,7-dihydroxy-1-propan-2-yl-3-propan-2-yloxyquinolin-2-one
CID 139717298

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one?
The IUPAC name of 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one (CID 139717841) is 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one.
What is the SMILES notation for 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one?
The canonical SMILES for 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one is COc1c(O)c2ccc(OC(C)C)cc2n(C)c1=O.
What is the InChIKey of 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one?
The InChIKey is HVRRAEAHCHZUAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO4/c1-8(2)19-9-5-6-10-11(7-9)15(3)14(17)13(18-4)12(10)16/h5-8,16H,1-4H3.
What are the key properties of 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one?
4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one has a molecular weight of 263.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-3-methoxy-1-methyl-7-propan-2-yloxyquinolin-2-one is sourced from PubChem (CID 139717841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).