N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide

C18H24N2O2 — CID 137259162

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1
InChIInChI=1S/C18H24N2O2/c1-4-6-13(7-5-2)18(22)19-14-8-9-15-12(3)10-17(21)20-16(15)11-14/h8-11,13,15H,4-7H2,1-3H3,(H,20,21)/b19-14+
InChIKeyMKWXDOCGDKZIKV-XMHGGMMESA-N
MW300.40 g/mol
LogP3.32
Rot. Bonds5

About N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide (PubChem CID 137259162) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
PubChem CID137259162
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide
SMILESCCCC(CCC)C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1
InChIInChI=1S/C18H24N2O2/c1-4-6-13(7-5-2)18(22)19-14-8-9-15-12(3)10-17(21)20-16(15)11-14/h8-11,13,15H,4-7H2,1-3H3,(H,20,21)/b19-14+
InChIKeyMKWXDOCGDKZIKV-XMHGGMMESA-N
XLogP3.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-butyl-2-oxo-3H-quinolin-7-yl)-3-cyclopropylpropanamide
CID 123357744
N-(3,4-dimethyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopropanecarboxamide
CID 137258008
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259156
2-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259157
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pentanamide
CID 137259158
3-methyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259159
3,3-dimethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259160
2-ethyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259161
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclopentanecarboxamide
CID 137259163
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)cyclohexanecarboxamide
CID 137259164
2-cyclohexyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)acetamide
CID 137259165
3-cyclopentyl-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)propanamide
CID 137259166

Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide (CID 137259162) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide is CCCC(CCC)C(=O)/N=C1\C=CC2C(C)=CC(=O)NC2=C1.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide?
The InChIKey is MKWXDOCGDKZIKV-XMHGGMMESA-N. The full InChI is InChI=1S/C18H24N2O2/c1-4-6-13(7-5-2)18(22)19-14-8-9-15-12(3)10-17(21)20-16(15)11-14/h8-11,13,15H,4-7H2,1-3H3,(H,20,21)/b19-14+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide has a molecular weight of 300.40 g/mol, XLogP of 3.32, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-propylpentanamide is sourced from PubChem (CID 137259162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).