4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde

C19H23N3O3 — CID 110331540

IUPAC4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCN(C=O)CC3)cc2c1
InChIInChI=1S/C19H23N3O3/c1-13-9-14(2)18-16(10-13)11-15(19(25)20-18)3-4-17(24)22-7-5-21(12-23)6-8-22/h9-12H,3-8H2,1-2H3,(H,20,25)
InChIKeyNNHHTECOIJUYSB-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.38
Rot. Bonds4

About 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde

4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde (PubChem CID 110331540) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
PubChem CID110331540
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
SMILESCc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCN(C=O)CC3)cc2c1
InChIInChI=1S/C19H23N3O3/c1-13-9-14(2)18-16(10-13)11-15(19(25)20-18)3-4-17(24)22-7-5-21(12-23)6-8-22/h9-12H,3-8H2,1-2H3,(H,20,25)
InChIKeyNNHHTECOIJUYSB-UHFFFAOYSA-N
XLogP1.38
TPSA73.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,8-dimethyl-3-(3-morpholin-4-yl-3-oxopropyl)-1H-quinolin-2-one
CID 110331533
4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331456
4-[3-(6-methyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
CID 110331208
6,8-dimethyl-3-[3-(3-methylpiperidin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331580
8-methyl-3-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1H-quinolin-2-one
CID 110331072
N-tert-butyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331576
N-cyclopentyl-3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanamide
CID 110331527
5,7-dimethyl-3-(3-oxo-3-piperidin-1-ylpropyl)-1H-quinolin-2-one
CID 110331696
3-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-6-methyl-1H-quinolin-2-one
CID 53174689
N-[(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)methyl]pentanamide
CID 69447803
3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)-N-(1-phenylethyl)propanamide
CID 110331547
ethyl 4-[3-(5,7-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carboxylate
CID 110331739

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde (CID 110331540) is 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde is Cc1cc(C)c2[nH]c(=O)c(CCC(=O)N3CCN(C=O)CC3)cc2c1.
What is the InChIKey of 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The InChIKey is NNHHTECOIJUYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-9-14(2)18-16(10-13)11-15(19(25)20-18)3-4-17(24)22-7-5-21(12-23)6-8-22/h9-12H,3-8H2,1-2H3,(H,20,25).
What are the key properties of 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde has a molecular weight of 341.41 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110331540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).