N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide

C23H25N3O5 — CID 86279208

IUPACN-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)CC1)c1c(O)c2cc(O)c(O)cc2[nH]c1=O
InChIInChI=1S/C23H25N3O5/c27-18-10-16-17(11-19(18)28)25-23(31)20(21(16)29)22(30)24-12-14-6-8-26(9-7-14)13-15-4-2-1-3-5-15/h1-5,10-11,14,27-28H,6-9,12-13H2,(H,24,30)(H2,25,29,31)
InChIKeyLANSNGGYDDMUGY-UHFFFAOYSA-N
MW423.47 g/mol
LogP2.29
Rot. Bonds5

About N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide

N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide (PubChem CID 86279208) has the molecular formula C23H25N3O5 and a molecular weight of 423.47 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide
PubChem CID86279208
Molecular FormulaC23H25N3O5
Molecular Weight423.47 g/mol
Exact Mass423.18
IUPAC NameN-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide
SMILESO=C(NCC1CCN(Cc2ccccc2)CC1)c1c(O)c2cc(O)c(O)cc2[nH]c1=O
InChIInChI=1S/C23H25N3O5/c27-18-10-16-17(11-19(18)28)25-23(31)20(21(16)29)22(30)24-12-14-6-8-26(9-7-14)13-15-4-2-1-3-5-15/h1-5,10-11,14,27-28H,6-9,12-13H2,(H,24,30)(H2,25,29,31)
InChIKeyLANSNGGYDDMUGY-UHFFFAOYSA-N
XLogP2.29
TPSA125.89 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 52.29
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

Analyze N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-Hydroxy-6,7-dimethoxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 2-methoxy-benzylamide
CID 54682411
N-(4-fluorobenzyl)-4-hydroxy-6,7-dimethoxy-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54683799
N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxo-1H-quinoline-3-carboxamide
CID 86279207
1-benzyl-N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-2-oxoquinoline-3-carboxamide
CID 90654551
1-Allyl-4-hydroxy-6,7-dimethoxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid cyclopropylamide
CID 54679671
4-Hydroxy-6,7-dimethoxy-2-oxo-1,2-dihydro-quinoline-3-carboxylic acid 3,4-dimethoxy-benzylamide
CID 54682420
4-hydroxy-6,7-dimethoxy-2-oxo-N-(3-(piperidin-1-yl)propyl)-1,2-dihydroquinoline-3-carboxamide hydrochloride
CID 54683149
1-ethyl-4-hydroxy-N-(3-hydroxyphenyl)-2-oxo-1,2-dihydroquinoline-3-carboxamide
CID 54686113
N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-6,7-dimethoxy-1-methyl-2-oxoquinoline-3-carboxamide;hydrochloride
CID 90654548
N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-1-methyl-2-oxoquinoline-3-carboxamide
CID 90654550
N-[(1-benzylpiperidin-4-yl)methyl]-4-hydroxy-2-oxo-1-[(3,4,5-trihydroxyphenyl)methyl]quinoline-3-carboxamide
CID 90654555
4,7-dihydroxy-N,1-dimethyl-2-oxo-N-phenylquinoline-3-carboxamide
CID 154699823

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide?
The IUPAC name of N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide (CID 86279208) is N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide.
What is the SMILES notation for N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide?
The canonical SMILES for N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide is O=C(NCC1CCN(Cc2ccccc2)CC1)c1c(O)c2cc(O)c(O)cc2[nH]c1=O.
What is the InChIKey of N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide?
The InChIKey is LANSNGGYDDMUGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5/c27-18-10-16-17(11-19(18)28)25-23(31)20(21(16)29)22(30)24-12-14-6-8-26(9-7-14)13-15-4-2-1-3-5-15/h1-5,10-11,14,27-28H,6-9,12-13H2,(H,24,30)(H2,25,29,31).
What are the key properties of N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide?
N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide has a molecular weight of 423.47 g/mol, XLogP of 2.29, 5 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-4-yl)methyl]-4,6,7-trihydroxy-2-oxo-1H-quinoline-3-carboxamide is sourced from PubChem (CID 86279208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).