N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide

C24H28N2O6 — CID 5223437

IUPACN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OCC
InChIInChI=1S/C24H28N2O6/c1-5-31-19-8-7-15(14-21(19)32-6-2)23(27)25-12-11-16-13-17-18(29-3)9-10-20(30-4)22(17)26-24(16)28/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyVPDDLMAOCQTQHR-UHFFFAOYSA-N
MW440.50 g/mol
LogP3.32
Rot. Bonds10

About N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide

N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide (PubChem CID 5223437) has the molecular formula C24H28N2O6 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide.

Molecular Properties

Compound NameN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide
PubChem CID5223437
Molecular FormulaC24H28N2O6
Molecular Weight440.50 g/mol
Exact Mass440.19
IUPAC NameN-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide
SMILESCCOc1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OCC
InChIInChI=1S/C24H28N2O6/c1-5-31-19-8-7-15(14-21(19)32-6-2)23(27)25-12-11-16-13-17-18(29-3)9-10-20(30-4)22(17)26-24(16)28/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,27)(H,26,28)
InChIKeyVPDDLMAOCQTQHR-UHFFFAOYSA-N
XLogP3.32
TPSA98.88 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-bromo-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]benzamide
CID 3497039
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-4-nitrobenzamide
CID 4163483
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]propanamide
CID 5070810
2-chloro-N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 7136765
3,4-diethoxy-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 31115214
1-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3-(2-methoxyethyl)thiourea
CID 7080770
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-(3-methylphenyl)acetamide
CID 5197848
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-2-phenylbutanamide
CID 4605558
N-[2-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-dimethoxybenzamide
CID 4182872
4-ethoxy-N-[2-(4-fluorophenyl)ethyl]-3-methoxybenzamide
CID 9391807
2-(3,4-dimethylphenoxy)-N-[2-(8-methoxy-5-methyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110414437
3,4-diethoxy-N-[2-(1H-indol-3-yl)ethyl]benzamide
CID 27645310

Frequently Asked Questions

What is the IUPAC name of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide?
The IUPAC name of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide (CID 5223437) is N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide.
What is the SMILES notation for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide?
The canonical SMILES for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide is CCOc1ccc(C(=O)NCCc2cc3c(OC)ccc(OC)c3[nH]c2=O)cc1OCC.
What is the InChIKey of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide?
The InChIKey is VPDDLMAOCQTQHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O6/c1-5-31-19-8-7-15(14-21(19)32-6-2)23(27)25-12-11-16-13-17-18(29-3)9-10-20(30-4)22(17)26-24(16)28/h7-10,13-14H,5-6,11-12H2,1-4H3,(H,25,27)(H,26,28).
What are the key properties of N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide?
N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide has a molecular weight of 440.50 g/mol, XLogP of 3.32, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5,8-dimethoxy-2-oxo-1H-quinolin-3-yl)ethyl]-3,4-diethoxybenzamide is sourced from PubChem (CID 5223437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).