N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide

C17H22N2O2 — CID 137259317

IUPACN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide
SMILESCCCCC(=O)/N=C1\C=CC2C(CCC)=CC(=O)NC2=C1
InChIInChI=1S/C17H22N2O2/c1-3-5-7-16(20)18-13-8-9-14-12(6-4-2)10-17(21)19-15(14)11-13/h8-11,14H,3-7H2,1-2H3,(H,19,21)/b18-13+
InChIKeyNNNXSHYAPRWEBR-QGOAFFKASA-N
MW286.38 g/mol
LogP3.07
Rot. Bonds5

About N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide

N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide (PubChem CID 137259317) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide
PubChem CID137259317
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide
SMILESCCCCC(=O)/N=C1\C=CC2C(CCC)=CC(=O)NC2=C1
InChIInChI=1S/C17H22N2O2/c1-3-5-7-16(20)18-13-8-9-14-12(6-4-2)10-17(21)19-15(14)11-13/h8-11,14H,3-7H2,1-2H3,(H,19,21)/b18-13+
InChIKeyNNNXSHYAPRWEBR-QGOAFFKASA-N
XLogP3.07
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.07
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

CID 123357744
CID 123357744
CID 170077573
CID 170077573
CID 137258008
CID 137258008
CID 137259156
CID 137259156
CID 137259157
CID 137259157
CID 137259158
CID 137259158
CID 137259159
CID 137259159
CID 137259160
CID 137259160
CID 137259161
CID 137259161
CID 137259162
CID 137259162
CID 137259163
CID 137259163
CID 137259164
CID 137259164

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide?
The IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide (CID 137259317) is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide.
What is the SMILES notation for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide?
The canonical SMILES for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide is CCCCC(=O)/N=C1\C=CC2C(CCC)=CC(=O)NC2=C1.
What is the InChIKey of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide?
The InChIKey is NNNXSHYAPRWEBR-QGOAFFKASA-N. The full InChI is InChI=1S/C17H22N2O2/c1-3-5-7-16(20)18-13-8-9-14-12(6-4-2)10-17(21)19-15(14)11-13/h8-11,14H,3-7H2,1-2H3,(H,19,21)/b18-13+.
What are the key properties of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide?
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide has a molecular weight of 286.38 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)pentanamide is sourced from PubChem (CID 137259317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).