N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide

C23H27N3O5 — CID 7586304

IUPACN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC
InChIInChI=1S/C23H27N3O5/c1-15(27)26-12-4-5-17-7-8-18(14-19(17)26)25-23(29)22(28)24-11-10-16-6-9-20(30-2)21(13-16)31-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyHQWNYSFHOXVENS-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.30
Rot. Bonds6

About N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide (PubChem CID 7586304) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide.

Molecular Properties

Compound NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
PubChem CID7586304
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC NameN'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
SMILESCOc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC
InChIInChI=1S/C23H27N3O5/c1-15(27)26-12-4-5-17-7-8-18(14-19(17)26)25-23(29)22(28)24-11-10-16-6-9-20(30-2)21(13-16)31-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,24,28)(H,25,29)
InChIKeyHQWNYSFHOXVENS-UHFFFAOYSA-N
XLogP2.30
TPSA96.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 7586327
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-butyloxamide
CID 7586301
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
CID 7586153
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-[4-(4-methylpiperazin-1-yl)phenyl]oxamide
CID 108506267
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-(pyridin-4-ylmethyl)oxamide
CID 7586339
2-(3,4-dimethoxyphenyl)-N-(1-propanoyl-3,4-dihydro-2H-quinolin-7-yl)acetamide
CID 16835104
N'-(3,4-dichlorophenyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2250005
N-[2-(3,4-dimethoxyphenyl)ethyl]-N'-(1,3-dimethyl-2-oxobenzimidazol-5-yl)oxamide
CID 49295966
1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 167902580
N'-(1,3-benzodioxol-5-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 2291128
N'-(3,4-dimethoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]oxamide
CID 7585270
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597

Frequently Asked Questions

What is the IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The IUPAC name of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide (CID 7586304) is N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide.
What is the SMILES notation for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The canonical SMILES for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide is COc1ccc(CCNC(=O)C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC.
What is the InChIKey of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
The InChIKey is HQWNYSFHOXVENS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-15(27)26-12-4-5-17-7-8-18(14-19(17)26)25-23(29)22(28)24-11-10-16-6-9-20(30-2)21(13-16)31-3/h6-9,13-14H,4-5,10-12H2,1-3H3,(H,24,28)(H,25,29).
What are the key properties of N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide?
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide has a molecular weight of 425.49 g/mol, XLogP of 2.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide is sourced from PubChem (CID 7586304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).