N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide

C22H25N3O2 — CID 137259849

IUPACN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)18-13-20(26)24-19-12-15(8-11-17(18)19)23-21(27)14-6-9-16(10-7-14)25(4)5/h6-13,17H,1-5H3,(H,24,26)/b23-15+
InChIKeyLZASKRCLHRDQJM-HZHRSRAPSA-N
MW363.46 g/mol
LogP3.51
Rot. Bonds2

About N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide (PubChem CID 137259849) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide.

Molecular Properties

Compound NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide
PubChem CID137259849
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC NameN-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide
SMILESCN(C)c1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)(C)C)cc1
InChIInChI=1S/C22H25N3O2/c1-22(2,3)18-13-20(26)24-19-12-15(8-11-17(18)19)23-21(27)14-6-9-16(10-7-14)25(4)5/h6-13,17H,1-5H3,(H,24,26)/b23-15+
InChIKeyLZASKRCLHRDQJM-HZHRSRAPSA-N
XLogP3.51
TPSA61.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-propan-2-yloxybenzamide
CID 137259733
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2-ethoxybenzamide
CID 137259731
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 137259825
2,5-dichloro-N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)benzamide
CID 137259209
N-(4-methyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)pyrazine-2-carboxamide
CID 167999843
CID 69397190
CID 69397190
4-chloro-N-(2-oxo-4-propan-2-yl-1,4a-dihydroquinolin-7-ylidene)butanamide
CID 137259978
N-(4-oxo-2,3,5,9a-tetrahydro-1H-cyclopenta[c]quinolin-7-ylidene)thiophene-3-carboxamide
CID 137260398
4-(dimethylamino)benzoic acid;hydrochloride
CID 67236590
3-(dimethylamino)-6-[4-(dimethylamino)benzoyl]cyclohexa-2,4-dien-1-one
CID 141091744
4-[4-(dimethylamino)benzoyl]piperazine-2,6-dione
CID 66084706
2-[bis(2-hydroxypropan-2-yl)amino]propan-2-ol;4-(dimethylamino)benzoic acid
CID 174923896

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide?
The IUPAC name of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide (CID 137259849) is N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide.
What is the SMILES notation for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide?
The canonical SMILES for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide is CN(C)c1ccc(C(=O)/N=C2\C=CC3C(=C2)NC(=O)C=C3C(C)(C)C)cc1.
What is the InChIKey of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide?
The InChIKey is LZASKRCLHRDQJM-HZHRSRAPSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-22(2,3)18-13-20(26)24-19-12-15(8-11-17(18)19)23-21(27)14-6-9-16(10-7-14)25(4)5/h6-13,17H,1-5H3,(H,24,26)/b23-15+.
What are the key properties of N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide?
N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide has a molecular weight of 363.46 g/mol, XLogP of 3.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butyl-2-oxo-1,4a-dihydroquinolin-7-ylidene)-4-(dimethylamino)benzamide is sourced from PubChem (CID 137259849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).