N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide

C17H23N3O2 — CID 110680233

IUPACN-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1cc2ccccc2n(CCC(=O)NCCN(C)C)c1=O
InChIInChI=1S/C17H23N3O2/c1-13-12-14-6-4-5-7-15(14)20(17(13)22)10-8-16(21)18-9-11-19(2)3/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyDOCICGMUSNESLG-UHFFFAOYSA-N
MW301.39 g/mol
LogP1.38
Rot. Bonds6

About N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide

N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide (PubChem CID 110680233) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
PubChem CID110680233
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
SMILESCc1cc2ccccc2n(CCC(=O)NCCN(C)C)c1=O
InChIInChI=1S/C17H23N3O2/c1-13-12-14-6-4-5-7-15(14)20(17(13)22)10-8-16(21)18-9-11-19(2)3/h4-7,12H,8-11H2,1-3H3,(H,18,21)
InChIKeyDOCICGMUSNESLG-UHFFFAOYSA-N
XLogP1.38
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-acetamidoethyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680262
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324347
3-(3-methyl-2-oxoquinolin-1-yl)-N-pyrimidin-2-ylpropanamide
CID 110680287
N,N-diethyl-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680260
N-(3-acetylphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680283
N-(3,4-difluorophenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680300
1-[3-(4-acetylpiperazin-1-yl)-3-oxopropyl]-3-methylquinolin-2-one
CID 110680239
2-(3-fluorophenyl)-N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]acetamide
CID 110707094
N-(3-methoxyphenyl)-3-(3-methyl-2-oxoquinolin-1-yl)propanamide
CID 110680279
N-[2-(dimethylamino)ethyl]-3-(1,3-dioxoisoindol-2-yl)propanamide;hydrochloride
CID 126460177
3-methyl-1-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]quinolin-2-one
CID 110680227
N-[2-(3-methyl-2-oxoquinolin-1-yl)ethyl]-5-oxopyrrolidine-2-carboxamide
CID 110741001

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide (CID 110680233) is N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide is Cc1cc2ccccc2n(CCC(=O)NCCN(C)C)c1=O.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
The InChIKey is DOCICGMUSNESLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-13-12-14-6-4-5-7-15(14)20(17(13)22)10-8-16(21)18-9-11-19(2)3/h4-7,12H,8-11H2,1-3H3,(H,18,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide?
N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide has a molecular weight of 301.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-3-(3-methyl-2-oxoquinolin-1-yl)propanamide is sourced from PubChem (CID 110680233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).