N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide

C25H29N3O5 — CID 46831614

IUPACN-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)cc1C)cn2CCCCCC(=O)NO
InChIInChI=1S/C25H29N3O5/c1-16-8-10-21(17(2)13-16)26-25(31)20-15-28(12-6-4-5-7-23(29)27-32)22-11-9-18(33-3)14-19(22)24(20)30/h8-11,13-15,32H,4-7,12H2,1-3H3,(H,26,31)(H,27,29)
InChIKeyGINURGKOBDPFCL-UHFFFAOYSA-N
MW451.52 g/mol
LogP3.95
Rot. Bonds9

About N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide

N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide (PubChem CID 46831614) has the molecular formula C25H29N3O5 and a molecular weight of 451.52 g/mol. Its IUPAC name is N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide
PubChem CID46831614
Molecular FormulaC25H29N3O5
Molecular Weight451.52 g/mol
Exact Mass451.21
IUPAC NameN-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide
SMILESCOc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)cc1C)cn2CCCCCC(=O)NO
InChIInChI=1S/C25H29N3O5/c1-16-8-10-21(17(2)13-16)26-25(31)20-15-28(12-6-4-5-7-23(29)27-32)22-11-9-18(33-3)14-19(22)24(20)30/h8-11,13-15,32H,4-7,12H2,1-3H3,(H,26,31)(H,27,29)
InChIKeyGINURGKOBDPFCL-UHFFFAOYSA-N
XLogP3.95
TPSA109.66 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.52
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[6-(2-aminoanilino)-6-oxohexyl]-N-(2,4-dimethylphenyl)-6-methoxy-4-oxoquinoline-3-carboxamide
CID 46833317
1-[6-(2-aminoanilino)-6-oxohexyl]-N-(2,4-dimethylphenyl)-4-oxoquinoline-3-carboxamide
CID 46832713
6-fluoro-1-[6-(hydroxyamino)-6-oxohexyl]-N-[(4-methoxyphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 46834468
N-[(2,4-dimethoxyphenyl)methyl]-1-[6-(hydroxyamino)-6-oxohexyl]-4-oxoquinoline-3-carboxamide
CID 46834191
N-(2,4-dimethylphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39850917
1-ethyl-6-methoxy-N-(4-methyl-2-pyridinyl)-4-oxoquinoline-3-carboxamide
CID 27260830
N,N'-bis(4-methoxy-2-methylphenyl)decanediamide
CID 10836848
N-(2,4-dimethylphenyl)-5-methoxy-1H-indole-3-carboxamide
CID 113206042
N-(2,5-difluorophenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30133112
N-(5-chloro-2-methoxyphenyl)-1-ethyl-6-methoxy-4-oxoquinoline-3-carboxamide
CID 30132938
1-ethyl-6-methoxy-N-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxamide
CID 30132807
N-(2,4-dimethoxyphenyl)-1-ethyl-6-fluoro-4-oxoquinoline-3-carboxamide
CID 39851001

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide?
The IUPAC name of N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide (CID 46831614) is N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide?
The canonical SMILES for N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide is COc1ccc2c(c1)c(=O)c(C(=O)Nc1ccc(C)cc1C)cn2CCCCCC(=O)NO.
What is the InChIKey of N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide?
The InChIKey is GINURGKOBDPFCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O5/c1-16-8-10-21(17(2)13-16)26-25(31)20-15-28(12-6-4-5-7-23(29)27-32)22-11-9-18(33-3)14-19(22)24(20)30/h8-11,13-15,32H,4-7,12H2,1-3H3,(H,26,31)(H,27,29).
What are the key properties of N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide?
N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide has a molecular weight of 451.52 g/mol, XLogP of 3.95, 9 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethylphenyl)-1-[6-(hydroxyamino)-6-oxohexyl]-6-methoxy-4-oxoquinoline-3-carboxamide is sourced from PubChem (CID 46831614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).