N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide

C26H32N2O4 — CID 23300520

IUPACN-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide
SMILESCCCCCCOc1c(O)c(=O)n(CCCC)c2cc(NC(=O)c3ccccc3)ccc12
InChIInChI=1S/C26H32N2O4/c1-3-5-7-11-17-32-24-21-15-14-20(27-25(30)19-12-9-8-10-13-19)18-22(21)28(16-6-4-2)26(31)23(24)29/h8-10,12-15,18,29H,3-7,11,16-17H2,1-2H3,(H,27,30)
InChIKeyJOEBTKQQRQAMOB-UHFFFAOYSA-N
MW436.55 g/mol
LogP5.72
Rot. Bonds11

About N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide

N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide (PubChem CID 23300520) has the molecular formula C26H32N2O4 and a molecular weight of 436.55 g/mol. Its IUPAC name is N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide.

Molecular Properties

Compound NameN-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide
PubChem CID23300520
Molecular FormulaC26H32N2O4
Molecular Weight436.55 g/mol
Exact Mass436.24
IUPAC NameN-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide
SMILESCCCCCCOc1c(O)c(=O)n(CCCC)c2cc(NC(=O)c3ccccc3)ccc12
InChIInChI=1S/C26H32N2O4/c1-3-5-7-11-17-32-24-21-15-14-20(27-25(30)19-12-9-8-10-13-19)18-22(21)28(16-6-4-2)26(31)23(24)29/h8-10,12-15,18,29H,3-7,11,16-17H2,1-2H3,(H,27,30)
InChIKeyJOEBTKQQRQAMOB-UHFFFAOYSA-N
XLogP5.72
TPSA80.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.55
LogP ≤ 55.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(4-hexoxy-1-hexyl-2-oxo-3-prop-2-enoxyquinolin-7-yl)benzamide
CID 23300645
7-(benzylamino)-4-butoxy-3-hydroxy-1-octylquinolin-2-one
CID 23300253
N-[4-[(2E)-3,7-dimethylocta-2,6-dienoxy]-1-hexyl-2-oxo-3-prop-2-enoxyquinolin-7-yl]benzamide
CID 23300159
[4-hexoxy-1-octyl-2-oxo-7-[[(E)-3-phenylprop-2-enoyl]amino]quinolin-3-yl] acetate
CID 23301167
(7-acetamido-4-butoxy-1-hexyl-2-oxoquinolin-3-yl) formate
CID 23301038
N-(1-hexyl-3,4-dimethoxy-2-oxoquinolin-7-yl)acetamide
CID 21217778
3,4-dihydroxy-7-octoxy-1-octylquinolin-2-one
CID 139718130
1-hexyl-3,4-dihydroxy-7-octoxyquinolin-2-one
CID 139718059
3-hexoxy-4,7-dihydroxy-1-octylquinolin-2-one
CID 139718563
1-butyl-4,7-dihydroxy-3-octoxyquinolin-2-one
CID 139717591
1-butyl-3-hydroxy-7-(methylamino)-4-(3-methylbut-2-enoxy)quinolin-2-one
CID 23301062
(E)-N-(1-hexyl-4-hydroxy-2-oxo-3-prop-2-enoxyquinolin-7-yl)-3-phenylprop-2-enamide
CID 54713911

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide?
The IUPAC name of N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide (CID 23300520) is N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide.
What is the SMILES notation for N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide?
The canonical SMILES for N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide is CCCCCCOc1c(O)c(=O)n(CCCC)c2cc(NC(=O)c3ccccc3)ccc12.
What is the InChIKey of N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide?
The InChIKey is JOEBTKQQRQAMOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H32N2O4/c1-3-5-7-11-17-32-24-21-15-14-20(27-25(30)19-12-9-8-10-13-19)18-22(21)28(16-6-4-2)26(31)23(24)29/h8-10,12-15,18,29H,3-7,11,16-17H2,1-2H3,(H,27,30).
What are the key properties of N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide?
N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide has a molecular weight of 436.55 g/mol, XLogP of 5.72, 11 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-4-hexoxy-3-hydroxy-2-oxoquinolin-7-yl)benzamide is sourced from PubChem (CID 23300520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).