7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

C20H20N2O2S — CID 75463366

IUPAC7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESCc1ccc2c(c1)N(C(=O)c1ccc3c(c1)NC(=O)CCS3)CCC2
InChIInChI=1S/C20H20N2O2S/c1-13-4-5-14-3-2-9-22(17(14)11-13)20(24)15-6-7-18-16(12-15)21-19(23)8-10-25-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,21,23)
InChIKeyFNEJZIZXOQKCME-UHFFFAOYSA-N
MW352.46 g/mol
LogP4.02
Rot. Bonds1

About 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one (PubChem CID 75463366) has the molecular formula C20H20N2O2S and a molecular weight of 352.46 g/mol. Its IUPAC name is 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.

Molecular Properties

Compound Name7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
PubChem CID75463366
Molecular FormulaC20H20N2O2S
Molecular Weight352.46 g/mol
Exact Mass352.12
IUPAC Name7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESCc1ccc2c(c1)N(C(=O)c1ccc3c(c1)NC(=O)CCS3)CCC2
InChIInChI=1S/C20H20N2O2S/c1-13-4-5-14-3-2-9-22(17(14)11-13)20(24)15-6-7-18-16(12-15)21-19(23)8-10-25-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,21,23)
InChIKeyFNEJZIZXOQKCME-UHFFFAOYSA-N
XLogP4.02
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.46
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one with MolForge

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Related Compounds

7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 34366561
7-[(2S)-2-methylpiperidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 32747081
7-(2,3-dimethylpiperazine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 120570716
N-(2-hydroxy-4-methylphenyl)-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 17482927
(7-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-nitrophenyl)methanone
CID 895005
N-[(4-methylphenyl)methyl]-4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxamide
CID 33239051
7-(4-amino-3,3-dimethylpiperidine-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one;hydrochloride
CID 120816929
7-[(2S)-2-phenylpyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 30218780
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
7-[(2R,5R)-2,5-dimethylmorpholine-4-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 94050970
[2-(2,3-dihydro-1H-inden-5-yl)-2-oxoethyl] 4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carboxylate
CID 7848184
N,N-dimethyl-2-[4-(4-oxo-3,5-dihydro-2H-1,5-benzothiazepine-7-carbonyl)-1,4-diazepan-1-yl]acetamide
CID 55641895

Frequently Asked Questions

What is the IUPAC name of 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The IUPAC name of 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CID 75463366) is 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
What is the SMILES notation for 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The canonical SMILES for 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one is Cc1ccc2c(c1)N(C(=O)c1ccc3c(c1)NC(=O)CCS3)CCC2.
What is the InChIKey of 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The InChIKey is FNEJZIZXOQKCME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2S/c1-13-4-5-14-3-2-9-22(17(14)11-13)20(24)15-6-7-18-16(12-15)21-19(23)8-10-25-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,21,23).
What are the key properties of 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one has a molecular weight of 352.46 g/mol, XLogP of 4.02, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one is sourced from PubChem (CID 75463366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).