N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide

C25H27N3O5 — CID 17251089

IUPACN-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H27N3O5/c1-32-17-10-11-20(22(14-17)33-2)26-23(29)16-28-21-9-5-4-8-18(21)19(15-24(28)30)25(31)27-12-6-3-7-13-27/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,26,29)
InChIKeyDTEBJYIBUMHAKO-UHFFFAOYSA-N
MW449.51 g/mol
LogP3.28
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide (PubChem CID 17251089) has the molecular formula C25H27N3O5 and a molecular weight of 449.51 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
PubChem CID17251089
Molecular FormulaC25H27N3O5
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
SMILESCOc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c(OC)c1
InChIInChI=1S/C25H27N3O5/c1-32-17-10-11-20(22(14-17)33-2)26-23(29)16-28-21-9-5-4-8-18(21)19(15-24(28)30)25(31)27-12-6-3-7-13-27/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,26,29)
InChIKeyDTEBJYIBUMHAKO-UHFFFAOYSA-N
XLogP3.28
TPSA89.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814188
N-(2,5-dimethoxyphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 51369730
N-(3-chloro-4-methoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 17251065
N-(3-fluorophenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide
CID 50814310
N-(2,4-dimethoxyphenyl)-2-(3-methyl-2,4-dioxoquinazolin-1-yl)acetamide
CID 6502390
N-(2,4-dimethoxyphenyl)-2-[4-[(3S)-3-methylpiperidin-1-yl]-2-oxoquinazolin-1-yl]acetamide
CID 92896934
2-[4-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-2-oxoquinolin-1-yl]-N-(2-methoxy-5-methylphenyl)acetamide
CID 25287384
N-(2,4-dimethoxyphenyl)-3-(4-methyl-2-oxoquinolin-1-yl)propanamide
CID 39763982
N-(2,3-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251039
N-(2,5-dimethylphenyl)-2-[4-(morpholine-4-carbonyl)-2-oxoquinolin-1-yl]acetamide
CID 17251117
N-methyl-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]-N-phenylacetamide
CID 51369709
N-(2,4-dimethoxyphenyl)-2-(2-oxo-3H-benzimidazol-1-yl)acetamide
CID 113195265

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide (CID 17251089) is N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide is COc1ccc(NC(=O)Cn2c(=O)cc(C(=O)N3CCCCC3)c3ccccc32)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide?
The InChIKey is DTEBJYIBUMHAKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O5/c1-32-17-10-11-20(22(14-17)33-2)26-23(29)16-28-21-9-5-4-8-18(21)19(15-24(28)30)25(31)27-12-6-3-7-13-27/h4-5,8-11,14-15H,3,6-7,12-13,16H2,1-2H3,(H,26,29).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide has a molecular weight of 449.51 g/mol, XLogP of 3.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2-oxo-4-(piperidine-1-carbonyl)quinolin-1-yl]acetamide is sourced from PubChem (CID 17251089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).