10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

C19H22N4O3S — CID 2158427

IUPAC10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)sc3nc12
InChIInChI=1S/C19H22N4O3S/c1-13-4-2-7-23-16(13)21-18-14(19(23)25)12-15(27-18)17(24)20-5-3-6-22-8-10-26-11-9-22/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,20,24)
InChIKeyDSGHSKQWHYJBCV-UHFFFAOYSA-N
MW386.48 g/mol
LogP1.67
Rot. Bonds5

About 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide

10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (PubChem CID 2158427) has the molecular formula C19H22N4O3S and a molecular weight of 386.48 g/mol. Its IUPAC name is 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.

Molecular Properties

Compound Name10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
PubChem CID2158427
Molecular FormulaC19H22N4O3S
Molecular Weight386.48 g/mol
Exact Mass386.14
IUPAC Name10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
SMILESCc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)sc3nc12
InChIInChI=1S/C19H22N4O3S/c1-13-4-2-7-23-16(13)21-18-14(19(23)25)12-15(27-18)17(24)20-5-3-6-22-8-10-26-11-9-22/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,20,24)
InChIKeyDSGHSKQWHYJBCV-UHFFFAOYSA-N
XLogP1.67
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.48
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide with MolForge

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Related Compounds

10-methyl-2-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 84818880
10-methyl-2-oxo-N-[2-(4-sulfamoylphenyl)ethyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158450
10-methyl-2-oxo-N-(pyridin-3-ylmethyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158455
N-[(4-methoxyphenyl)methyl]-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 1251337
10-methyl-5-(pyrrolidine-1-carbonyl)-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 866629
N-(4-ethylphenyl)-10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158466
7-[2-(4-chlorophenyl)ethyl]-6-imino-11-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 155528597
5-(1,4-dioxa-8-azaspiro[4.5]decane-8-carbonyl)-10-methyl-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaen-2-one
CID 2059292
6-imino-11-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077510
10-methyl-2-oxo-N-[3-(trifluoromethyl)phenyl]-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 2158497
dimethyl 2-[(10-methyl-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carbonyl)amino]benzene-1,4-dicarboxylate
CID 4169560
9-methyl-N-(3-morpholin-4-ylpropyl)-4H-thieno[3,2-c]chromene-2-carboxamide
CID 20877717

Frequently Asked Questions

What is the IUPAC name of 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The IUPAC name of 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide (CID 2158427) is 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide.
What is the SMILES notation for 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The canonical SMILES for 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is Cc1cccn2c(=O)c3cc(C(=O)NCCCN4CCOCC4)sc3nc12.
What is the InChIKey of 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
The InChIKey is DSGHSKQWHYJBCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3S/c1-13-4-2-7-23-16(13)21-18-14(19(23)25)12-15(27-18)17(24)20-5-3-6-22-8-10-26-11-9-22/h2,4,7,12H,3,5-6,8-11H2,1H3,(H,20,24).
What are the key properties of 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide?
10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide has a molecular weight of 386.48 g/mol, XLogP of 1.67, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methyl-N-(3-morpholin-4-ylpropyl)-2-oxo-6-thia-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide is sourced from PubChem (CID 2158427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).