N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide

C18H15N3OS — CID 3477730

IUPACN-[(7-methylquinolin-8-yl)carbamothioyl]benzamide
SMILESCc1ccc2cccnc2c1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C18H15N3OS/c1-12-9-10-13-8-5-11-19-16(13)15(12)20-18(23)21-17(22)14-6-3-2-4-7-14/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyASNYRTGWBXIGFA-UHFFFAOYSA-N
MW321.41 g/mol
LogP3.67
Rot. Bonds2

About N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide

N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide (PubChem CID 3477730) has the molecular formula C18H15N3OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide.

Molecular Properties

Compound NameN-[(7-methylquinolin-8-yl)carbamothioyl]benzamide
PubChem CID3477730
Molecular FormulaC18H15N3OS
Molecular Weight321.41 g/mol
Exact Mass321.09
IUPAC NameN-[(7-methylquinolin-8-yl)carbamothioyl]benzamide
SMILESCc1ccc2cccnc2c1NC(=S)NC(=O)c1ccccc1
InChIInChI=1S/C18H15N3OS/c1-12-9-10-13-8-5-11-19-16(13)15(12)20-18(23)21-17(22)14-6-3-2-4-7-14/h2-11H,1H3,(H2,20,21,22,23)
InChIKeyASNYRTGWBXIGFA-UHFFFAOYSA-N
XLogP3.67
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide?
The IUPAC name of N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide (CID 3477730) is N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide.
What is the SMILES notation for N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide?
The canonical SMILES for N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide is Cc1ccc2cccnc2c1NC(=S)NC(=O)c1ccccc1.
What is the InChIKey of N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide?
The InChIKey is ASNYRTGWBXIGFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3OS/c1-12-9-10-13-8-5-11-19-16(13)15(12)20-18(23)21-17(22)14-6-3-2-4-7-14/h2-11H,1H3,(H2,20,21,22,23).
What are the key properties of N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide?
N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide has a molecular weight of 321.41 g/mol, XLogP of 3.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methylquinolin-8-yl)carbamothioyl]benzamide is sourced from PubChem (CID 3477730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).