N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

C23H21N3O5 — CID 7080793

IUPACN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3c[nH]c4ccccc34)cc12
InChIInChI=1S/C23H21N3O5/c1-30-18-7-8-19(31-2)20-15(18)11-13(22(28)26-20)9-10-24-23(29)21(27)16-12-25-17-6-4-3-5-14(16)17/h3-8,11-12,25H,9-10H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyUYUOVVKIXOWLSG-UHFFFAOYSA-N
MW419.44 g/mol
LogP2.57
Rot. Bonds7

About N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide

N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (PubChem CID 7080793) has the molecular formula C23H21N3O5 and a molecular weight of 419.44 g/mol. Its IUPAC name is N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
PubChem CID7080793
Molecular FormulaC23H21N3O5
Molecular Weight419.44 g/mol
Exact Mass419.15
IUPAC NameN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide
SMILESCOc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3c[nH]c4ccccc34)cc12
InChIInChI=1S/C23H21N3O5/c1-30-18-7-8-19(31-2)20-15(18)11-13(22(28)26-20)9-10-24-23(29)21(27)16-12-25-17-6-4-3-5-14(16)17/h3-8,11-12,25H,9-10H2,1-2H3,(H,24,29)(H,26,28)
InChIKeyUYUOVVKIXOWLSG-UHFFFAOYSA-N
XLogP2.57
TPSA113.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The IUPAC name of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide (CID 7080793) is N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide.
What is the SMILES notation for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The canonical SMILES for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is COc1ccc(OC)c2[nH]c(=O)c(CCNC(=O)C(=O)c3c[nH]c4ccccc34)cc12.
What is the InChIKey of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
The InChIKey is UYUOVVKIXOWLSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O5/c1-30-18-7-8-19(31-2)20-15(18)11-13(22(28)26-20)9-10-24-23(29)21(27)16-12-25-17-6-4-3-5-14(16)17/h3-8,11-12,25H,9-10H2,1-2H3,(H,24,29)(H,26,28).
What are the key properties of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide?
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide has a molecular weight of 419.44 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(1H-indol-3-yl)-2-oxoacetamide is sourced from PubChem (CID 7080793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).