butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate

C23H24N2O7 — CID 54682431

IUPACbutyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3[nH]c2=O)cc1
InChIInChI=1S/C23H24N2O7/c1-4-5-10-32-23(29)13-6-8-14(9-7-13)24-21(27)19-20(26)15-11-17(30-2)18(31-3)12-16(15)25-22(19)28/h6-9,11-12H,4-5,10H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyCRLYFAUTIKDGFR-UHFFFAOYSA-N
MW440.45 g/mol
LogP3.46
Rot. Bonds8

About butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate

butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate (PubChem CID 54682431) has the molecular formula C23H24N2O7 and a molecular weight of 440.45 g/mol. Its IUPAC name is butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate.

Molecular Properties

Compound Namebutyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
PubChem CID54682431
Molecular FormulaC23H24N2O7
Molecular Weight440.45 g/mol
Exact Mass440.16
IUPAC Namebutyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate
SMILESCCCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3[nH]c2=O)cc1
InChIInChI=1S/C23H24N2O7/c1-4-5-10-32-23(29)13-6-8-14(9-7-13)24-21(27)19-20(26)15-11-17(30-2)18(31-3)12-16(15)25-22(19)28/h6-9,11-12H,4-5,10H2,1-3H3,(H,24,27)(H2,25,26,28)
InChIKeyCRLYFAUTIKDGFR-UHFFFAOYSA-N
XLogP3.46
TPSA126.95 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.45
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate with MolForge

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Related Compounds

butyl 4-[(3-chloro-4-methoxybenzoyl)amino]benzoate
CID 44871422
butyl-[2-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]ethyl]-methylazanium
CID 54675917
butyl 4-[(3-methoxynaphthalene-2-carbonyl)amino]benzoate
CID 43909390
butyl 4-[(3,4-diethoxybenzoyl)amino]benzoate
CID 100534622
hexyl 4-[(2-bromo-3,4,5-trimethoxybenzoyl)amino]benzoate
CID 2789416
butyl 4-[(5-methoxy-2-methyl-1-benzofuran-3-carbonyl)amino]benzoate
CID 51065492
N-(4-hexoxyphenyl)-4-hydroxy-2-oxo-6-prop-2-enyl-1H-quinoline-3-carboxamide
CID 58024544
butyl 4-[(2-oxo-6-phenyl-1H-pyridine-3-carbonyl)amino]benzoate
CID 66497900
butyl 4-[(2,3,6-trichlorobenzoyl)amino]benzoate
CID 19171011
butyl 4-[[4-(2-amino-2-oxoethoxy)-3-chloro-5-methoxybenzoyl]amino]benzoate
CID 24590767
pentyl 4-[(4-hexoxybenzoyl)amino]benzoate
CID 19170775
[2-(4-butoxycarbonylanilino)-2-oxoethyl] 3-methoxy-4-propan-2-yloxybenzoate
CID 16501147

Frequently Asked Questions

What is the IUPAC name of butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate?
The IUPAC name of butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate (CID 54682431) is butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate.
What is the SMILES notation for butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate?
The canonical SMILES for butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate is CCCCOC(=O)c1ccc(NC(=O)c2c(O)c3cc(OC)c(OC)cc3[nH]c2=O)cc1.
What is the InChIKey of butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate?
The InChIKey is CRLYFAUTIKDGFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O7/c1-4-5-10-32-23(29)13-6-8-14(9-7-13)24-21(27)19-20(26)15-11-17(30-2)18(31-3)12-16(15)25-22(19)28/h6-9,11-12H,4-5,10H2,1-3H3,(H,24,27)(H2,25,26,28).
What are the key properties of butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate?
butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate has a molecular weight of 440.45 g/mol, XLogP of 3.46, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for butyl 4-[(4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carbonyl)amino]benzoate is sourced from PubChem (CID 54682431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).