4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde

C19H23N3O3 — CID 110331456

IUPAC4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
SMILESCc1ccc2cc(CCC(=O)N3CCN(C=O)CC3)c(=O)[nH]c2c1C
InChIInChI=1S/C19H23N3O3/c1-13-3-4-15-11-16(19(25)20-18(15)14(13)2)5-6-17(24)22-9-7-21(12-23)8-10-22/h3-4,11-12H,5-10H2,1-2H3,(H,20,25)
InChIKeyDDZSYYHOLGFCJL-UHFFFAOYSA-N
MW341.41 g/mol
LogP1.38
Rot. Bonds4

About 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde

4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde (PubChem CID 110331456) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde.

Molecular Properties

Compound Name4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
PubChem CID110331456
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde
SMILESCc1ccc2cc(CCC(=O)N3CCN(C=O)CC3)c(=O)[nH]c2c1C
InChIInChI=1S/C19H23N3O3/c1-13-3-4-15-11-16(19(25)20-18(15)14(13)2)5-6-17(24)22-9-7-21(12-23)8-10-22/h3-4,11-12H,5-10H2,1-2H3,(H,20,25)
InChIKeyDDZSYYHOLGFCJL-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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Frequently Asked Questions

What is the IUPAC name of 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The IUPAC name of 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde (CID 110331456) is 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde.
What is the SMILES notation for 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The canonical SMILES for 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde is Cc1ccc2cc(CCC(=O)N3CCN(C=O)CC3)c(=O)[nH]c2c1C.
What is the InChIKey of 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
The InChIKey is DDZSYYHOLGFCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c1-13-3-4-15-11-16(19(25)20-18(15)14(13)2)5-6-17(24)22-9-7-21(12-23)8-10-22/h3-4,11-12H,5-10H2,1-2H3,(H,20,25).
What are the key properties of 4-[3-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde?
4-[3-(7,8-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-(7,8-dimethyl-2-oxo-1H-quinolin-3-yl)propanoyl]piperazine-1-carbaldehyde is sourced from PubChem (CID 110331456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).