3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

C22H25N3O2 — CID 110331480

IUPAC3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCc1ccc2cc(CCC(=O)N(C)CCc3ccncc3)c(=O)[nH]c2c1C
InChIInChI=1S/C22H25N3O2/c1-15-4-5-18-14-19(22(27)24-21(18)16(15)2)6-7-20(26)25(3)13-10-17-8-11-23-12-9-17/h4-5,8-9,11-12,14H,6-7,10,13H2,1-3H3,(H,24,27)
InChIKeyGCXRXRCIYOCTGV-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.17
Rot. Bonds6

About 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide

3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (PubChem CID 110331480) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.

Molecular Properties

Compound Name3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
PubChem CID110331480
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
SMILESCc1ccc2cc(CCC(=O)N(C)CCc3ccncc3)c(=O)[nH]c2c1C
InChIInChI=1S/C22H25N3O2/c1-15-4-5-18-14-19(22(27)24-21(18)16(15)2)6-7-20(26)25(3)13-10-17-8-11-23-12-9-17/h4-5,8-9,11-12,14H,6-7,10,13H2,1-3H3,(H,24,27)
InChIKeyGCXRXRCIYOCTGV-UHFFFAOYSA-N
XLogP3.17
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide with MolForge

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Related Compounds

3-(6,7-dimethoxy-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 110298967
N-methyl-3-[methyl(2-pyridin-4-ylethyl)amino]-N-(2-pyridin-4-ylethyl)propanamide
CID 109025999
3-(2-chlorophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 77080685
3-(2-aminophenyl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 28713762
2-chloro-N-methyl-N-(2-pyridin-4-ylethyl)acetamide
CID 60913202
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-2-methylbenzamide
CID 4097912
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(pyridin-4-ylmethyl)propanamide
CID 110331556
2-(4-chlorophenyl)-N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]acetamide
CID 110326206
4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331456
3-(tert-butylamino)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide
CID 54943632
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-pyridin-2-ylethyl)propanamide
CID 53174667
N-[2-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)ethyl]-3-thiophen-2-ylpropanamide
CID 110415481

Frequently Asked Questions

What is the IUPAC name of 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The IUPAC name of 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide (CID 110331480) is 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide.
What is the SMILES notation for 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The canonical SMILES for 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is Cc1ccc2cc(CCC(=O)N(C)CCc3ccncc3)c(=O)[nH]c2c1C.
What is the InChIKey of 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
The InChIKey is GCXRXRCIYOCTGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-15-4-5-18-14-19(22(27)24-21(18)16(15)2)6-7-20(26)25(3)13-10-17-8-11-23-12-9-17/h4-5,8-9,11-12,14H,6-7,10,13H2,1-3H3,(H,24,27).
What are the key properties of 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide?
3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide has a molecular weight of 363.46 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-methyl-N-(2-pyridin-4-ylethyl)propanamide is sourced from PubChem (CID 110331480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).