N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide

C23H27N3OS — CID 147873972

IUPACN,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide
SMILESCN(C)C(=O)c1ccccc1C/N=C1\Nc2ccccc2CC12CCSCC2
InChIInChI=1S/C23H27N3OS/c1-26(2)21(27)19-9-5-3-8-18(19)16-24-22-23(11-13-28-14-12-23)15-17-7-4-6-10-20(17)25-22/h3-10H,11-16H2,1-2H3,(H,24,25)
InChIKeyHZDNCVZIXGQDOX-UHFFFAOYSA-N
MW393.56 g/mol
LogP4.47
Rot. Bonds3

About N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide

N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide (PubChem CID 147873972) has the molecular formula C23H27N3OS and a molecular weight of 393.56 g/mol. Its IUPAC name is N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide
PubChem CID147873972
Molecular FormulaC23H27N3OS
Molecular Weight393.56 g/mol
Exact Mass393.19
IUPAC NameN,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide
SMILESCN(C)C(=O)c1ccccc1C/N=C1\Nc2ccccc2CC12CCSCC2
InChIInChI=1S/C23H27N3OS/c1-26(2)21(27)19-9-5-3-8-18(19)16-24-22-23(11-13-28-14-12-23)15-17-7-4-6-10-20(17)25-22/h3-10H,11-16H2,1-2H3,(H,24,25)
InChIKeyHZDNCVZIXGQDOX-UHFFFAOYSA-N
XLogP4.47
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.47
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-methyl-2-[(spiro[1,4-dihydroquinoline-3,4'-oxane]-2-ylideneamino)methyl]benzamide
CID 153182010
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,4'-thiane]-6-carboxamide
CID 162119471
N-[[2-chloro-5-(trifluoromethyl)phenyl]methyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 147232567
N-[(2-chlorophenyl)methyl]-1'-methylspiro[1,4-dihydroquinoline-3,4'-piperidine]-2-imine
CID 148619189
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-thiane]-6-carboxamide
CID 147750690
2-[(3-chlorophenyl)methylimino]-6-N,6-N,7-N,7-N-tetramethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-6,7-dicarboxamide
CID 158189843
N-[(2,3-dichlorophenyl)methyl]spiro[1,4-dihydroquinoline-3,1'-cyclohexane]-2-imine
CID 160811986
2-[(3-chlorophenyl)methylimino]-N-methylspiro[1,4-dihydroquinoline-3,4'-thiane]-8-carboxamide
CID 157117921
2-[(3-chlorophenyl)methylimino]-N,N-dimethylspiro[1,4-dihydroquinoline-3,1'-cyclohexane]-7-carboxamide
CID 158243317
N-[1-(2-chlorophenyl)ethyl]spiro[1,4-dihydroquinoline-3,4'-thiane]-2-imine
CID 153198108
2-[2-[(3-chlorophenyl)methylimino]spiro[1,4-dihydroquinoline-3,4'-piperidine]-1'-yl]-N,N-dimethylethanamine
CID 153104719
N-methyl-2-[(spiro[1,4-dihydroquinoxaline-3,1'-cyclohexane]-2-ylideneamino)methyl]benzamide
CID 137248268

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide?
The IUPAC name of N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide (CID 147873972) is N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide.
What is the SMILES notation for N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide?
The canonical SMILES for N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide is CN(C)C(=O)c1ccccc1C/N=C1\Nc2ccccc2CC12CCSCC2.
What is the InChIKey of N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide?
The InChIKey is HZDNCVZIXGQDOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3OS/c1-26(2)21(27)19-9-5-3-8-18(19)16-24-22-23(11-13-28-14-12-23)15-17-7-4-6-10-20(17)25-22/h3-10H,11-16H2,1-2H3,(H,24,25).
What are the key properties of N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide?
N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide has a molecular weight of 393.56 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[(spiro[1,4-dihydroquinoline-3,4'-thiane]-2-ylideneamino)methyl]benzamide is sourced from PubChem (CID 147873972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).