1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide

C18H21N3O3 — CID 137259155

IUPAC1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)CC1
InChIInChI=1S/C18H21N3O3/c1-11-9-17(23)20-16-10-14(3-4-15(11)16)19-18(24)13-5-7-21(8-6-13)12(2)22/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,20,23)/b19-14+
InChIKeyWHSYHJOKMRAQNS-XMHGGMMESA-N
MW327.38 g/mol
LogP1.36
Rot. Bonds1

About 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide

1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide (PubChem CID 137259155) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide.

Molecular Properties

Compound Name1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide
PubChem CID137259155
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide
SMILESCC(=O)N1CCC(C(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)CC1
InChIInChI=1S/C18H21N3O3/c1-11-9-17(23)20-16-10-14(3-4-15(11)16)19-18(24)13-5-7-21(8-6-13)12(2)22/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,20,23)/b19-14+
InChIKeyWHSYHJOKMRAQNS-XMHGGMMESA-N
XLogP1.36
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide?
The IUPAC name of 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide (CID 137259155) is 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide.
What is the SMILES notation for 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide?
The canonical SMILES for 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide is CC(=O)N1CCC(C(=O)/N=C2\C=CC3C(C)=CC(=O)NC3=C2)CC1.
What is the InChIKey of 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide?
The InChIKey is WHSYHJOKMRAQNS-XMHGGMMESA-N. The full InChI is InChI=1S/C18H21N3O3/c1-11-9-17(23)20-16-10-14(3-4-15(11)16)19-18(24)13-5-7-21(8-6-13)12(2)22/h3-4,9-10,13,15H,5-8H2,1-2H3,(H,20,23)/b19-14+.
What are the key properties of 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide?
1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide has a molecular weight of 327.38 g/mol, XLogP of 1.36, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)piperidine-4-carboxamide is sourced from PubChem (CID 137259155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).