3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C22H25N3O4 — CID 110298967

IUPAC3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1cc2cc(CCC(=O)N(C)CCc3ccncc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C22H25N3O4/c1-25(11-8-15-6-9-23-10-7-15)21(26)5-4-16-12-17-13-19(28-2)20(29-3)14-18(17)24-22(16)27/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,24,27)
InChIKeyLMCGQNYTTCIYKA-UHFFFAOYSA-N
MW395.46 g/mol
LogP2.57
Rot. Bonds8

About 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 110298967) has the molecular formula C22H25N3O4 and a molecular weight of 395.46 g/mol. Its IUPAC name is 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID110298967
Molecular FormulaC22H25N3O4
Molecular Weight395.46 g/mol
Exact Mass395.18
IUPAC Name3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCOc1cc2cc(CCC(=O)N(C)CCc3ccncc3)c(=O)[nH]c2cc1OC
InChIInChI=1S/C22H25N3O4/c1-25(11-8-15-6-9-23-10-7-15)21(26)5-4-16-12-17-13-19(28-2)20(29-3)14-18(17)24-22(16)27/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,24,27)
InChIKeyLMCGQNYTTCIYKA-UHFFFAOYSA-N
XLogP2.57
TPSA84.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.46
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 110331480
N-[(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)methyl]-N-(2-hydroxyethyl)pyridine-4-carboxamide
CID 1459255
N-methyl-N-(2-pyridin-4-ylethyl)-2-(3,4,5-trimethoxyphenyl)acetamide
CID 60602562
N-butyl-3-(7-methoxy-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110298878
N-benzyl-3-(6,7-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110331632
3-(N-acetyl-3,4-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 113130223
N-(3,4-dimethoxyphenyl)-3-(6-methoxy-2-oxo-1H-quinolin-3-yl)-N-methylpropanamide
CID 110426059
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 53174667
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
2-(5-chloro-2-methoxy-4-methylphenyl)-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 110768677

Frequently Asked Questions

What is the IUPAC name of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 110298967) is 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is COc1cc2cc(CCC(=O)N(C)CCc3ccncc3)c(=O)[nH]c2cc1OC.
What is the InChIKey of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is LMCGQNYTTCIYKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O4/c1-25(11-8-15-6-9-23-10-7-15)21(26)5-4-16-12-17-13-19(28-2)20(29-3)14-18(17)24-22(16)27/h6-7,9-10,12-14H,4-5,8,11H2,1-3H3,(H,24,27).
What are the key properties of 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 395.46 g/mol, XLogP of 2.57, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 110298967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).