7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one

C24H29NO4 — CID 139717487

IUPAC7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
SMILESCCCCOc1ccc2c(O)c(OCc3ccccc3)c(=O)n(CCCC)c2c1
InChIInChI=1S/C24H29NO4/c1-3-5-14-25-21-16-19(28-15-6-4-2)12-13-20(21)22(26)23(24(25)27)29-17-18-10-8-7-9-11-18/h7-13,16,26H,3-6,14-15,17H2,1-2H3
InChIKeyDBZUHLYYTSZQKU-UHFFFAOYSA-N
MW395.50 g/mol
LogP5.27
Rot. Bonds10

About 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one

7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one (PubChem CID 139717487) has the molecular formula C24H29NO4 and a molecular weight of 395.50 g/mol. Its IUPAC name is 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one.

Molecular Properties

Compound Name7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
PubChem CID139717487
Molecular FormulaC24H29NO4
Molecular Weight395.50 g/mol
Exact Mass395.21
IUPAC Name7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
SMILESCCCCOc1ccc2c(O)c(OCc3ccccc3)c(=O)n(CCCC)c2c1
InChIInChI=1S/C24H29NO4/c1-3-5-14-25-21-16-19(28-15-6-4-2)12-13-20(21)22(26)23(24(25)27)29-17-18-10-8-7-9-11-18/h7-13,16,26H,3-6,14-15,17H2,1-2H3
InChIKeyDBZUHLYYTSZQKU-UHFFFAOYSA-N
XLogP5.27
TPSA60.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.50
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

7-butoxy-1-hexyl-4-hydroxy-3-phenylmethoxyquinolin-2-one
CID 139717726
3,7-dibutoxy-1-butyl-4-hydroxyquinolin-2-one
CID 139717526
7-butoxy-1-octyl-3,4-bis(phenylmethoxy)quinolin-2-one
CID 139717414
1-butyl-4-hexoxy-3,7-bis(phenylmethoxy)quinolin-2-one
CID 139718064
1-butyl-7-hydroxy-3,4-bis(phenylmethoxy)quinolin-2-one
CID 139717687
7-butoxy-1-butyl-4-hydroxy-3-(3-methylbut-2-enoxy)quinolin-2-one
CID 139716929
4-hexoxy-1-hexyl-3-octoxy-7-phenylmethoxyquinolin-2-one
CID 139718175
3-butoxy-7-hydroxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139718046
3-butoxy-1-butyl-4-(3-methylbut-2-enoxy)-7-phenylmethoxyquinolin-2-one
CID 139718167
4-butoxy-1-hexyl-3-methoxy-7-phenylmethoxyquinolin-2-one
CID 139717303
7-methoxy-3-octoxy-1-octyl-4-phenylmethoxyquinolin-2-one
CID 139717005
1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591

Frequently Asked Questions

What is the IUPAC name of 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one?
The IUPAC name of 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one (CID 139717487) is 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one.
What is the SMILES notation for 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one?
The canonical SMILES for 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one is CCCCOc1ccc2c(O)c(OCc3ccccc3)c(=O)n(CCCC)c2c1.
What is the InChIKey of 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one?
The InChIKey is DBZUHLYYTSZQKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29NO4/c1-3-5-14-25-21-16-19(28-15-6-4-2)12-13-20(21)22(26)23(24(25)27)29-17-18-10-8-7-9-11-18/h7-13,16,26H,3-6,14-15,17H2,1-2H3.
What are the key properties of 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one?
7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one has a molecular weight of 395.50 g/mol, XLogP of 5.27, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butoxy-1-butyl-4-hydroxy-3-phenylmethoxyquinolin-2-one is sourced from PubChem (CID 139717487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).