7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one

C16H22N2O3 — CID 15435177

IUPAC7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one
SMILESCCCCCCOc1c(O)c(=O)n(C)c2cc(N)ccc12
InChIInChI=1S/C16H22N2O3/c1-3-4-5-6-9-21-15-12-8-7-11(17)10-13(12)18(2)16(20)14(15)19/h7-8,10,19H,3-6,9,17H2,1-2H3
InChIKeyMURWOOZUJNKFEC-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.79
Rot. Bonds6

About 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one

7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one (PubChem CID 15435177) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one
PubChem CID15435177
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one
SMILESCCCCCCOc1c(O)c(=O)n(C)c2cc(N)ccc12
InChIInChI=1S/C16H22N2O3/c1-3-4-5-6-9-21-15-12-8-7-11(17)10-13(12)18(2)16(20)14(15)19/h7-8,10,19H,3-6,9,17H2,1-2H3
InChIKeyMURWOOZUJNKFEC-UHFFFAOYSA-N
XLogP2.79
TPSA77.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

7-amino-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 23300684
4,7-dibutoxy-3-hydroxy-1-methylquinolin-2-one
CID 139716939
7-amino-3,4-dihexoxy-1-octylquinolin-2-one
CID 23300142
7-amino-4-hexoxy-1-hexyl-3-octoxyquinolin-2-one
CID 23300339
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
7-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 54716435
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
7-amino-3-butoxy-1-hexyl-4-pent-2-en-3-yloxyquinolin-2-one
CID 70248186
7-amino-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-3-hydroxyquinolin-2-one
CID 23300129
3,4-dimethoxy-1-methyl-7-octoxyquinolin-2-one
CID 139718425

Frequently Asked Questions

What is the IUPAC name of 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one?
The IUPAC name of 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one (CID 15435177) is 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one.
What is the SMILES notation for 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one?
The canonical SMILES for 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one is CCCCCCOc1c(O)c(=O)n(C)c2cc(N)ccc12.
What is the InChIKey of 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one?
The InChIKey is MURWOOZUJNKFEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-3-4-5-6-9-21-15-12-8-7-11(17)10-13(12)18(2)16(20)14(15)19/h7-8,10,19H,3-6,9,17H2,1-2H3.
What are the key properties of 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one?
7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one has a molecular weight of 290.36 g/mol, XLogP of 2.79, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-4-hexoxy-3-hydroxy-1-methylquinolin-2-one is sourced from PubChem (CID 15435177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).