4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde

C18H21N3O3 — CID 110331208

IUPAC4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
SMILESCc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(C=O)CC3)cc2c1
InChIInChI=1S/C18H21N3O3/c1-13-2-4-16-15(10-13)11-14(18(24)19-16)3-5-17(23)21-8-6-20(12-22)7-9-21/h2,4,10-12H,3,5-9H2,1H3,(H,19,24)
InChIKeyMDIHURUJZGWZPB-UHFFFAOYSA-N
MW327.38 g/mol
LogP1.07
Rot. Bonds4

About 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde

4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde (PubChem CID 110331208) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
PubChem CID110331208
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
SMILESCc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(C=O)CC3)cc2c1
InChIInChI=1S/C18H21N3O3/c1-13-2-4-16-15(10-13)11-14(18(24)19-16)3-5-17(23)21-8-6-20(12-22)7-9-21/h2,4,10-12H,3,5-9H2,1H3,(H,19,24)
InChIKeyMDIHURUJZGWZPB-UHFFFAOYSA-N
XLogP1.07
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331540
4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331456
7-methyl-3-(3-oxo-3-pyrrolidin-1-ylpropyl)-1H-quinolin-2-one
CID 53174869
3-[3-[4-(3-methylphenyl)piperazin-1-yl]-3-oxopropyl]-1H-quinolin-2-one
CID 110330988
7-methyl-3-[3-oxo-3-(4-propylpiperazin-1-yl)propyl]-1H-quinolin-2-one
CID 53174829
3-[3-[4-(2,2-dimethylpropyl)piperazin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 110629324
N-methyl-3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-phenylpropanamide
CID 110331251
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(2-piperidin-1-ylethyl)propanamide
CID 53174716
3-[3-[4-(methoxymethyl)piperidin-1-yl]-3-oxopropyl]-7-methyl-1H-quinolin-2-one
CID 53174835
3-(6-methyl-2-oxo-1H-quinolin-3-yl)-N-(4-methylphenyl)propanamide
CID 110331250
3-[3-(4-cyclohexylpiperazin-1-yl)-3-oxopropyl]-6-methoxy-1H-quinolin-2-one
CID 53174775

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde (CID 110331208) is 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde is Cc1ccc2[nH]c(=O)c(CCC(=O)N3CCN(C=O)CC3)cc2c1.
What is the InChIKey of 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The InChIKey is MDIHURUJZGWZPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-2-4-16-15(10-13)11-14(18(24)19-16)3-5-17(23)21-8-6-20(12-22)7-9-21/h2,4,10-12H,3,5-9H2,1H3,(H,19,24).
What are the key properties of 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde has a molecular weight of 327.38 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110331208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).