N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide

C20H28N4O2 — CID 110363088

IUPACN,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(Cc2cc3cccc(C)c3[nH]c2=O)CC1
InChIInChI=1S/C20H28N4O2/c1-4-23(5-2)20(26)24-11-9-22(10-12-24)14-17-13-16-8-6-7-15(3)18(16)21-19(17)25/h6-8,13H,4-5,9-12,14H2,1-3H3,(H,21,25)
InChIKeyRVAHAUOPJKRUGB-UHFFFAOYSA-N
MW356.47 g/mol
LogP2.42
Rot. Bonds4

About N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide

N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide (PubChem CID 110363088) has the molecular formula C20H28N4O2 and a molecular weight of 356.47 g/mol. Its IUPAC name is N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
PubChem CID110363088
Molecular FormulaC20H28N4O2
Molecular Weight356.47 g/mol
Exact Mass356.22
IUPAC NameN,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide
SMILESCCN(CC)C(=O)N1CCN(Cc2cc3cccc(C)c3[nH]c2=O)CC1
InChIInChI=1S/C20H28N4O2/c1-4-23(5-2)20(26)24-11-9-22(10-12-24)14-17-13-16-8-6-7-15(3)18(16)21-19(17)25/h6-8,13H,4-5,9-12,14H2,1-3H3,(H,21,25)
InChIKeyRVAHAUOPJKRUGB-UHFFFAOYSA-N
XLogP2.42
TPSA59.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide with MolForge

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Related Compounds

8-methyl-3-[(4-pentanoylpiperazin-1-yl)methyl]-1H-quinolin-2-one
CID 110363048
3-[(4-benzoylpiperazin-1-yl)methyl]-8-methyl-1H-quinolin-2-one
CID 110363057
phenyl 4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxylate
CID 110363086
2-[[4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazin-1-yl]methyl]benzonitrile
CID 56702172
8-methyl-3-[[4-(thiophen-2-ylmethyl)-1,4-diazepan-1-yl]methyl]-1H-quinolin-2-one
CID 91782616
3-ethyl-8-methyl-1H-quinolin-2-one
CID 143939354
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
3-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-7,8-dimethyl-1H-quinolin-2-one
CID 110363318
3-[[4-(2-ethylbutanoyl)piperazin-1-yl]methyl]-1H-quinolin-2-one
CID 110362987
3-(ethylaminomethyl)-8-methyl-1H-quinolin-2-one
CID 23009276
N-butyl-N-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]propanamide
CID 2022966
3-[[(3S,4R)-3-hydroxy-4-(pyridin-4-ylmethyl)pyrrolidin-1-yl]methyl]-8-methyl-1H-quinolin-2-one
CID 155494314

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide?
The IUPAC name of N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide (CID 110363088) is N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide.
What is the SMILES notation for N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide?
The canonical SMILES for N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide is CCN(CC)C(=O)N1CCN(Cc2cc3cccc(C)c3[nH]c2=O)CC1.
What is the InChIKey of N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide?
The InChIKey is RVAHAUOPJKRUGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2/c1-4-23(5-2)20(26)24-11-9-22(10-12-24)14-17-13-16-8-6-7-15(3)18(16)21-19(17)25/h6-8,13H,4-5,9-12,14H2,1-3H3,(H,21,25).
What are the key properties of N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide?
N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 2.42, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4-[(8-methyl-2-oxo-1H-quinolin-3-yl)methyl]piperazine-1-carboxamide is sourced from PubChem (CID 110363088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).