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

C23H28N2O2 — CID 137259329

IUPACN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC12
InChIInChI=1S/C23H28N2O2/c1-2-3-17-9-21(26)25-20-10-18(4-5-19(17)20)24-22(27)23-11-14-6-15(12-23)8-16(7-14)13-23/h4-5,9-10,14-16,19H,2-3,6-8,11-13H2,1H3,(H,25,26)/b24-18+
InChIKeyBMUNJGHNLMKMKZ-HKOYGPOVSA-N
MW364.49 g/mol
LogP4.10
Rot. Bonds3

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

N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide (PubChem CID 137259329) has the molecular formula C23H28N2O2 and a molecular weight of 364.49 g/mol. Its IUPAC name is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide
PubChem CID137259329
Molecular FormulaC23H28N2O2
Molecular Weight364.49 g/mol
Exact Mass364.22
IUPAC NameN-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide
SMILESCCCC1=CC(=O)NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC12
InChIInChI=1S/C23H28N2O2/c1-2-3-17-9-21(26)25-20-10-18(4-5-19(17)20)24-22(27)23-11-14-6-15(12-23)8-16(7-14)13-23/h4-5,9-10,14-16,19H,2-3,6-8,11-13H2,1H3,(H,25,26)/b24-18+
InChIKeyBMUNJGHNLMKMKZ-HKOYGPOVSA-N
XLogP4.10
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.49
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide?
The IUPAC name of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide (CID 137259329) is N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide.
What is the SMILES notation for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide?
The canonical SMILES for N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide is CCCC1=CC(=O)NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC12.
What is the InChIKey of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide?
The InChIKey is BMUNJGHNLMKMKZ-HKOYGPOVSA-N. The full InChI is InChI=1S/C23H28N2O2/c1-2-3-17-9-21(26)25-20-10-18(4-5-19(17)20)24-22(27)23-11-14-6-15(12-23)8-16(7-14)13-23/h4-5,9-10,14-16,19H,2-3,6-8,11-13H2,1H3,(H,25,26)/b24-18+.
What are the key properties of N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide?
N-(2-oxo-4-propyl-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide has a molecular weight of 364.49 g/mol, XLogP of 4.10, 3 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)adamantane-1-carboxamide is sourced from PubChem (CID 137259329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).