[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate

C24H18N4O6 — CID 23913495

IUPAC[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C24H18N4O6/c1-33-22-10-9-15(28(31)32)12-21(22)27-23(29)14-34-24(30)17-13-20(19-8-4-5-11-25-19)26-18-7-3-2-6-16(17)18/h2-13H,14H2,1H3,(H,27,29)
InChIKeyRZJUFWNNOOIQPI-UHFFFAOYSA-N
MW458.43 g/mol
LogP4.01
Rot. Bonds7

About [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate

[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate (PubChem CID 23913495) has the molecular formula C24H18N4O6 and a molecular weight of 458.43 g/mol. Its IUPAC name is [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
PubChem CID23913495
Molecular FormulaC24H18N4O6
Molecular Weight458.43 g/mol
Exact Mass458.12
IUPAC Name[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate
SMILESCOc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc12
InChIInChI=1S/C24H18N4O6/c1-33-22-10-9-15(28(31)32)12-21(22)27-23(29)14-34-24(30)17-13-20(19-8-4-5-11-25-19)26-18-7-3-2-6-16(17)18/h2-13H,14H2,1H3,(H,27,29)
InChIKeyRZJUFWNNOOIQPI-UHFFFAOYSA-N
XLogP4.01
TPSA133.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

[2-(2-fluoro-5-nitroanilino)-2-oxoethyl] 2-phenylquinoline-4-carboxylate
CID 2357065
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-phenylbenzoate
CID 7229241
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] 2-[4-(difluoromethoxy)phenyl]quinoline-4-carboxylate
CID 4988574
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-fluorobenzoate
CID 2428263
[2-(2-chloro-5-nitroanilino)-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 2484661
2-(4-ethoxyphenyl)-N-(2-methoxy-5-nitrophenyl)quinoline-4-carboxamide
CID 1290094
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] pyridine-3-carboxylate
CID 9413357
[2-(5-methoxy-2-methyl-4-nitroanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 23932754
[2-(2-methoxy-4-nitroanilino)-2-oxoethyl] pyridine-2-carboxylate
CID 7776690
N-(2-methoxy-5-nitrophenyl)-2-(3-methoxyphenyl)quinoline-4-carboxamide
CID 5219745
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2,3-dichlorobenzoate
CID 8002328
[2-(2-cyanoanilino)-2-oxoethyl] 2-(3,4,5-trimethoxyphenyl)quinoline-4-carboxylate
CID 2353532

Frequently Asked Questions

What is the IUPAC name of [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The IUPAC name of [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate (CID 23913495) is [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate.
What is the SMILES notation for [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The canonical SMILES for [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate is COc1ccc([N+](=O)[O-])cc1NC(=O)COC(=O)c1cc(-c2ccccn2)nc2ccccc12.
What is the InChIKey of [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
The InChIKey is RZJUFWNNOOIQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O6/c1-33-22-10-9-15(28(31)32)12-21(22)27-23(29)14-34-24(30)17-13-20(19-8-4-5-11-25-19)26-18-7-3-2-6-16(17)18/h2-13H,14H2,1H3,(H,27,29).
What are the key properties of [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate?
[2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate has a molecular weight of 458.43 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] 2-pyridin-2-ylquinoline-4-carboxylate is sourced from PubChem (CID 23913495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).