N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide

C21H25N3O3 — CID 167835459

IUPACN'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)C(=O)NC1CC2CCCC(C2)C1
InChIInChI=1S/C21H25N3O3/c25-19-16(11-15-6-1-2-7-18(15)24-19)12-22-20(26)21(27)23-17-9-13-4-3-5-14(8-13)10-17/h1-2,6-7,11,13-14,17H,3-5,8-10,12H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyDTBZLSSNZFYQFF-UHFFFAOYSA-N
MW367.45 g/mol
LogP2.23
Rot. Bonds3

About N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide

N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide (PubChem CID 167835459) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide.

Molecular Properties

Compound NameN'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide
PubChem CID167835459
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC NameN'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide
SMILESO=C(NCc1cc2ccccc2[nH]c1=O)C(=O)NC1CC2CCCC(C2)C1
InChIInChI=1S/C21H25N3O3/c25-19-16(11-15-6-1-2-7-18(15)24-19)12-22-20(26)21(27)23-17-9-13-4-3-5-14(8-13)10-17/h1-2,6-7,11,13-14,17H,3-5,8-10,12H2,(H,22,26)(H,23,27)(H,24,25)
InChIKeyDTBZLSSNZFYQFF-UHFFFAOYSA-N
XLogP2.23
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide with MolForge

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Related Compounds

N-[(2-oxo-1H-quinolin-3-yl)methyl]-2-(5-phenyl-1,2-oxazol-3-yl)acetamide
CID 110619588
N-[(R)-cyclobutyl(phenyl)methyl]-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 97081084
N-[(2-oxo-1H-quinolin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 110608823
3-[(2-cyclopropylpropan-2-ylamino)methyl]-1H-quinolin-2-one
CID 103700259
6-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1H-pyridazine-3-carboxamide
CID 110662606
2-(4-chlorophenyl)-2-cyclopropyl-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 110616683
5-oxo-N-[(2-oxo-1H-quinolin-3-yl)methyl]-1-phenylpyrrolidine-2-carboxamide
CID 110608828
N-[(2-oxo-1H-quinolin-3-yl)methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 110619586
N-cyclohexyl-N-cyclopropyl-2-(2-oxo-1H-quinolin-3-yl)acetamide
CID 56820333
2-(4-oxo-3H-phthalazin-1-yl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]acetamide
CID 139017463
1-[(2-oxo-1H-quinolin-3-yl)methyl]-3-[(3R)-1-(4,4,4-trifluorobutanoyl)piperidin-3-yl]urea
CID 167928804
N-[(2-oxo-1H-quinolin-3-yl)methyl]-3-phenylbenzamide
CID 110324311

Frequently Asked Questions

What is the IUPAC name of N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide?
The IUPAC name of N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide (CID 167835459) is N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide.
What is the SMILES notation for N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide?
The canonical SMILES for N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide is O=C(NCc1cc2ccccc2[nH]c1=O)C(=O)NC1CC2CCCC(C2)C1.
What is the InChIKey of N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide?
The InChIKey is DTBZLSSNZFYQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c25-19-16(11-15-6-1-2-7-18(15)24-19)12-22-20(26)21(27)23-17-9-13-4-3-5-14(8-13)10-17/h1-2,6-7,11,13-14,17H,3-5,8-10,12H2,(H,22,26)(H,23,27)(H,24,25).
What are the key properties of N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide?
N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide has a molecular weight of 367.45 g/mol, XLogP of 2.23, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(3-bicyclo[3.3.1]nonanyl)-N-[(2-oxo-1H-quinolin-3-yl)methyl]oxamide is sourced from PubChem (CID 167835459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).