(1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone

C15H17N3O3S — CID 157041061

IUPAC(1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone
SMILES[H]N=S1(=O)CCN(C(=O)c2ccnc3cc(OC)ccc23)CC1
InChIInChI=1S/C15H17N3O3S/c1-21-11-2-3-12-13(4-5-17-14(12)10-11)15(19)18-6-8-22(16,20)9-7-18/h2-5,10,16H,6-9H2,1H3
InChIKeyVACMQQTZPFOKDY-UHFFFAOYSA-N
MW319.39 g/mol
LogP1.75
Rot. Bonds2

About (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone

(1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone (PubChem CID 157041061) has the molecular formula C15H17N3O3S and a molecular weight of 319.39 g/mol. Its IUPAC name is (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone.

Molecular Properties

Compound Name(1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone
PubChem CID157041061
Molecular FormulaC15H17N3O3S
Molecular Weight319.39 g/mol
Exact Mass319.10
IUPAC Name(1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone
SMILES[H]N=S1(=O)CCN(C(=O)c2ccnc3cc(OC)ccc23)CC1
InChIInChI=1S/C15H17N3O3S/c1-21-11-2-3-12-13(4-5-17-14(12)10-11)15(19)18-6-8-22(16,20)9-7-18/h2-5,10,16H,6-9H2,1H3
InChIKeyVACMQQTZPFOKDY-UHFFFAOYSA-N
XLogP1.75
TPSA83.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.39
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone with MolForge

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Related Compounds

1-(6-methoxy-1H-indol-3-yl)-2-thiomorpholin-4-ylethanone
CID 944731
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid phenethyl-amide
CID 10177949
7-Methoxy-2-phenyl-quinoline-4-carboxylic acid benzylamide
CID 10270385
N-[4-[6-tert-butyl-5-methoxy-8-(2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide
CID 49835364
N-[4-[6-tert-butyl-5-methoxy-8-(6-methyl-2-oxo-1H-pyridin-3-yl)-3-quinolyl]phenyl]methanesulfonamide
CID 49835368
[4-(7-Methoxyquinolin-4-yl)piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139473480
1-[4-[7-Methoxy-3-(4-methylsulfonylpiperazine-1-carbonyl)quinolin-4-yl]phenyl]cyclopropane-1-carbonitrile
CID 142581224
N-cyclohexyl-7-methoxyquinoline-3-carboxamide
CID 155513454
4-[2-(7-cyclobutyloxy-3,4-dihydro-2H-quinolin-1-yl)ethyl]-N-[(5-ethylsulfonyl-2-pyridinyl)methyl]benzamide
CID 164619540
N-(3-methoxyphenyl)-2-(pyridin-2-yl)quinoline-4-carboxamide
CID 2387516
(3,5-Dimethylpiperidin-1-yl)-[2-(4-methoxyphenyl)quinolin-4-yl]methanone
CID 3466025
7-ethoxy-3-(methylsulfinyl)-2-phenyl-N-((S)-1-phenylpropyl)quinoline-4-carboxamide
CID 53320155

Frequently Asked Questions

What is the IUPAC name of (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone?
The IUPAC name of (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone (CID 157041061) is (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone.
What is the SMILES notation for (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone?
The canonical SMILES for (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone is [H]N=S1(=O)CCN(C(=O)c2ccnc3cc(OC)ccc23)CC1.
What is the InChIKey of (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone?
The InChIKey is VACMQQTZPFOKDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O3S/c1-21-11-2-3-12-13(4-5-17-14(12)10-11)15(19)18-6-8-22(16,20)9-7-18/h2-5,10,16H,6-9H2,1H3.
What are the key properties of (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone?
(1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone has a molecular weight of 319.39 g/mol, XLogP of 1.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-imino-1-oxo-1,4-thiazinan-4-yl)-(7-methoxyquinolin-4-yl)methanone is sourced from PubChem (CID 157041061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).