7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

C20H20N2O3S — CID 34366561

IUPAC7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)NC(=O)CCS2
InChIInChI=1S/C20H20N2O3S/c1-25-15-5-6-17-13(11-15)3-2-9-22(17)20(24)14-4-7-18-16(12-14)21-19(23)8-10-26-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,21,23)
InChIKeyYBJGJHZFCVYLCW-UHFFFAOYSA-N
MW368.46 g/mol
LogP3.72
Rot. Bonds2

About 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one

7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one (PubChem CID 34366561) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.

Molecular Properties

Compound Name7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
PubChem CID34366561
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC Name7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
SMILESCOc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)NC(=O)CCS2
InChIInChI=1S/C20H20N2O3S/c1-25-15-5-6-17-13(11-15)3-2-9-22(17)20(24)14-4-7-18-16(12-14)21-19(23)8-10-26-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,21,23)
InChIKeyYBJGJHZFCVYLCW-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-(6-methoxy-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-(7-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 75463366
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(3-methylphenyl)methanone
CID 17480877
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-(4-methylsulfanylphenyl)methanone
CID 18122068
(6-fluoro-3-pyridinyl)-(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 63979492
3,4-dihydro-2H-quinolin-1-yl-(3-methoxyphenyl)methanone
CID 755245
(5-methoxy-2,3-dihydroindol-1-yl)-phenylmethanone
CID 86659859
2-methoxy-5-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-N-methylbenzenesulfonamide
CID 34363466
(3-methoxyphenyl)-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31840032
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
7-[(2R)-2-(4-ethoxyphenyl)pyrrolidine-1-carbonyl]-3,5-dihydro-2H-1,5-benzothiazepin-4-one
CID 39968210
(4-chlorophenyl)-(5-methoxy-2,3-dihydroindol-1-yl)methanone
CID 110714075
3-fluoro-4-(7-methoxy-2,3,4,5-tetrahydro-1-benzazepine-1-carbonyl)benzoic acid
CID 120550731

Frequently Asked Questions

What is the IUPAC name of 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The IUPAC name of 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one (CID 34366561) is 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one.
What is the SMILES notation for 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The canonical SMILES for 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one is COc1ccc2c(c1)CCCN2C(=O)c1ccc2c(c1)NC(=O)CCS2.
What is the InChIKey of 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
The InChIKey is YBJGJHZFCVYLCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-25-15-5-6-17-13(11-15)3-2-9-22(17)20(24)14-4-7-18-16(12-14)21-19(23)8-10-26-18/h4-7,11-12H,2-3,8-10H2,1H3,(H,21,23).
What are the key properties of 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one?
7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one has a molecular weight of 368.46 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(6-methoxy-3,4-dihydro-2H-quinoline-1-carbonyl)-3,5-dihydro-2H-1,5-benzothiazepin-4-one is sourced from PubChem (CID 34366561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).