3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one

C19H27NO4 — CID 139718108

IUPAC3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one
SMILESCCCCOc1c(OC)c2ccc(OC)cc2n(CCCC)c1=O
InChIInChI=1S/C19H27NO4/c1-5-7-11-20-16-13-14(22-3)9-10-15(16)17(23-4)18(19(20)21)24-12-8-6-2/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyMSBTXRRODBCCFP-UHFFFAOYSA-N
MW333.43 g/mol
LogP4.00
Rot. Bonds9

About 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one

3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one (PubChem CID 139718108) has the molecular formula C19H27NO4 and a molecular weight of 333.43 g/mol. Its IUPAC name is 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one.

Molecular Properties

Compound Name3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one
PubChem CID139718108
Molecular FormulaC19H27NO4
Molecular Weight333.43 g/mol
Exact Mass333.19
IUPAC Name3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one
SMILESCCCCOc1c(OC)c2ccc(OC)cc2n(CCCC)c1=O
InChIInChI=1S/C19H27NO4/c1-5-7-11-20-16-13-14(22-3)9-10-15(16)17(23-4)18(19(20)21)24-12-8-6-2/h9-10,13H,5-8,11-12H2,1-4H3
InChIKeyMSBTXRRODBCCFP-UHFFFAOYSA-N
XLogP4.00
TPSA49.69 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.43
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-butoxy-1-hexyl-3,7-dimethoxyquinolin-2-one
CID 139717994
1-butyl-7-methoxy-3-octoxy-4-propan-2-yloxyquinolin-2-one
CID 139717146
4-hexoxy-1-hexyl-3-methoxy-7-octoxyquinolin-2-one
CID 139716997
3-butoxy-7-hydroxy-4-methoxy-1-octylquinolin-2-one
CID 139718323
7-methoxy-3-octoxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139717005
3,7-dimethoxy-1-octyl-4-propan-2-yloxyquinolin-2-one
CID 139717374
3-butoxy-1-butyl-4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-7-methoxyquinolin-2-one
CID 139717020
4-butoxy-3-hexoxy-7-methoxy-1-methylquinolin-2-one
CID 139717572
3,7-dibutoxy-1-butyl-4-hydroxyquinolin-2-one
CID 139717526
7-butoxy-3-hexoxy-4-methoxy-1-methylquinolin-2-one
CID 139717106
4-butoxy-1-hexyl-3-methoxy-7-phenylmethoxyquinolin-2-one
CID 139717303
1-butyl-4-hexoxy-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139718064

Frequently Asked Questions

What is the IUPAC name of 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one?
The IUPAC name of 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one (CID 139718108) is 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one.
What is the SMILES notation for 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one?
The canonical SMILES for 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one is CCCCOc1c(OC)c2ccc(OC)cc2n(CCCC)c1=O.
What is the InChIKey of 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one?
The InChIKey is MSBTXRRODBCCFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27NO4/c1-5-7-11-20-16-13-14(22-3)9-10-15(16)17(23-4)18(19(20)21)24-12-8-6-2/h9-10,13H,5-8,11-12H2,1-4H3.
What are the key properties of 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one?
3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one has a molecular weight of 333.43 g/mol, XLogP of 4.00, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butoxy-1-butyl-4,7-dimethoxyquinolin-2-one is sourced from PubChem (CID 139718108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).