N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide

C20H22N2O4 — CID 7586153

IUPACN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC
InChIInChI=1S/C20H22N2O4/c1-13(23)22-10-4-5-14-6-8-16(12-17(14)22)21-20(24)15-7-9-18(25-2)19(11-15)26-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,24)
InChIKeyXMUMDQBXZXPBOK-UHFFFAOYSA-N
MW354.41 g/mol
LogP3.26
Rot. Bonds4

About N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide (PubChem CID 7586153) has the molecular formula C20H22N2O4 and a molecular weight of 354.41 g/mol. Its IUPAC name is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide.

Molecular Properties

Compound NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
PubChem CID7586153
Molecular FormulaC20H22N2O4
Molecular Weight354.41 g/mol
Exact Mass354.16
IUPAC NameN-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide
SMILESCOc1ccc(C(=O)Nc2ccc3c(c2)N(C(C)=O)CCC3)cc1OC
InChIInChI=1S/C20H22N2O4/c1-13(23)22-10-4-5-14-6-8-16(12-17(14)22)21-20(24)15-7-9-18(25-2)19(11-15)26-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,24)
InChIKeyXMUMDQBXZXPBOK-UHFFFAOYSA-N
XLogP3.26
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,5-dimethylbenzamide
CID 7586167
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(2-methoxyphenoxy)acetamide
CID 7517220
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3-fluorobenzamide
CID 7527164
(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)thiourea
CID 169358597
N'-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]oxamide
CID 7586304
N-(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)-3,5-dimethoxybenzamide
CID 7656241
N-(3,4-dimethoxyphenyl)-1-methylsulfonyl-2,3-dihydroindole-6-carboxamide
CID 53160386
1-[7-[[4-(2-hydroxyethoxy)-3-methoxyphenyl]methylamino]-3,4-dihydro-2H-quinolin-1-yl]ethanone
CID 167902580
N-[4-(1-acetyl-2,3-dihydroindol-6-yl)-1,3-thiazol-2-yl]-3,4-dimethoxybenzamide
CID 39073479
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-chlorobenzamide
CID 7527150
3,4-dimethoxy-N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]benzamide
CID 16825758
4-tert-butyl-N-[1-(2-methoxyacetyl)-3,4-dihydro-2H-quinolin-7-yl]benzamide
CID 16835196

Frequently Asked Questions

What is the IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide?
The IUPAC name of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide (CID 7586153) is N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide.
What is the SMILES notation for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide?
The canonical SMILES for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide is COc1ccc(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)-3,4-dimethoxybenzamide?
The InChIKey is XMUMDQBXZXPBOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4/c1-13(23)22-10-4-5-14-6-8-16(12-17(14)22)21-20(24)15-7-9-18(25-2)19(11-15)26-3/h6-9,11-12H,4-5,10H2,1-3H3,(H,21,24).
What are the key properties of N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide?
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide has a molecular weight of 354.41 g/mol, XLogP of 3.26, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-3,4-dimethoxybenzamide is sourced from PubChem (CID 7586153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).