5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one

C20H30N2O3 — CID 140979750

IUPAC5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one
SMILESCCCCCCOc1c(OCCCC)c(=O)n(C)c2cccc(N)c12
InChIInChI=1S/C20H30N2O3/c1-4-6-8-9-14-24-18-17-15(21)11-10-12-16(17)22(3)20(23)19(18)25-13-7-5-2/h10-12H,4-9,13-14,21H2,1-3H3
InChIKeyUCBJFXWOSWKSIP-UHFFFAOYSA-N
MW346.47 g/mol
LogP4.26
Rot. Bonds10

About 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one

5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one (PubChem CID 140979750) has the molecular formula C20H30N2O3 and a molecular weight of 346.47 g/mol. Its IUPAC name is 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one.

Molecular Properties

Compound Name5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one
PubChem CID140979750
Molecular FormulaC20H30N2O3
Molecular Weight346.47 g/mol
Exact Mass346.23
IUPAC Name5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one
SMILESCCCCCCOc1c(OCCCC)c(=O)n(C)c2cccc(N)c12
InChIInChI=1S/C20H30N2O3/c1-4-6-8-9-14-24-18-17-15(21)11-10-12-16(17)22(3)20(23)19(18)25-13-7-5-2/h10-12H,4-9,13-14,21H2,1-3H3
InChIKeyUCBJFXWOSWKSIP-UHFFFAOYSA-N
XLogP4.26
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.47
LogP ≤ 54.26
H-Bond Donors ≤ 51
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

5-(dimethylamino)-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140995435
4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 140979748
5-(benzylamino)-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 140979734
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
4-butoxy-7-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 139717001
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
3-butoxy-4-hydroxy-1-methylquinolin-2-one
CID 140995416
3-fluoro-2-hexoxyaniline
CID 104831272
7-amino-4-hexoxy-3-methoxy-1-methylquinolin-2-one
CID 23300684
5-amino-7-benzoyl-4-hydroxy-1-methyl-3-octoxyquinolin-2-one
CID 172729096
4-butoxy-3-hexoxy-1-methyl-7-phenylmethoxyquinolin-2-one
CID 139718009
4-butoxy-1-methyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718339

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one?
The IUPAC name of 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one (CID 140979750) is 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one.
What is the SMILES notation for 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one?
The canonical SMILES for 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one is CCCCCCOc1c(OCCCC)c(=O)n(C)c2cccc(N)c12.
What is the InChIKey of 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one?
The InChIKey is UCBJFXWOSWKSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N2O3/c1-4-6-8-9-14-24-18-17-15(21)11-10-12-16(17)22(3)20(23)19(18)25-13-7-5-2/h10-12H,4-9,13-14,21H2,1-3H3.
What are the key properties of 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one?
5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one has a molecular weight of 346.47 g/mol, XLogP of 4.26, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-butoxy-4-hexoxy-1-methylquinolin-2-one is sourced from PubChem (CID 140979750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).