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

C21H24N2O2 — CID 137259168

IUPACN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC12
InChIInChI=1S/C21H24N2O2/c1-12-4-19(24)23-18-8-16(2-3-17(12)18)22-20(25)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15,17H,5-7,9-11H2,1H3,(H,23,24)/b22-16+
InChIKeyRVBXVMBRPPUHRQ-CJLVFECKSA-N
MW336.44 g/mol
LogP3.32
Rot. Bonds1

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

N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide (PubChem CID 137259168) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide.

Molecular Properties

Compound NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide
PubChem CID137259168
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC NameN-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide
SMILESCC1=CC(=O)NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC12
InChIInChI=1S/C21H24N2O2/c1-12-4-19(24)23-18-8-16(2-3-17(12)18)22-20(25)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15,17H,5-7,9-11H2,1H3,(H,23,24)/b22-16+
InChIKeyRVBXVMBRPPUHRQ-CJLVFECKSA-N
XLogP3.32
TPSA58.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
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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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide?
The IUPAC name of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide (CID 137259168) is N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide.
What is the SMILES notation for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide?
The canonical SMILES for N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide is CC1=CC(=O)NC2=C/C(=N/C(=O)C34CC5CC(CC(C5)C3)C4)C=CC12.
What is the InChIKey of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide?
The InChIKey is RVBXVMBRPPUHRQ-CJLVFECKSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-12-4-19(24)23-18-8-16(2-3-17(12)18)22-20(25)21-9-13-5-14(10-21)7-15(6-13)11-21/h2-4,8,13-15,17H,5-7,9-11H2,1H3,(H,23,24)/b22-16+.
What are the key properties of N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide?
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)adamantane-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.32, 1 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)adamantane-1-carboxamide is sourced from PubChem (CID 137259168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).