6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide

C19H17N3OS — CID 11210957

IUPAC6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2c(c1)sc1c(=O)[nH]c3ccccc3c12
InChIInChI=1S/C19H17N3OS/c1-10(2)21-18(20)11-7-8-13-15(9-11)24-17-16(13)12-5-3-4-6-14(12)22-19(17)23/h3-10H,1-2H3,(H2,20,21)(H,22,23)
InChIKeyOQGYGYBQDPSWFW-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.01
Rot. Bonds2

About 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide

6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide (PubChem CID 11210957) has the molecular formula C19H17N3OS and a molecular weight of 335.43 g/mol. Its IUPAC name is 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide.

Molecular Properties

Compound Name6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide
PubChem CID11210957
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2c(c1)sc1c(=O)[nH]c3ccccc3c12
InChIInChI=1S/C19H17N3OS/c1-10(2)21-18(20)11-7-8-13-15(9-11)24-17-16(13)12-5-3-4-6-14(12)22-19(17)23/h3-10H,1-2H3,(H2,20,21)(H,22,23)
InChIKeyOQGYGYBQDPSWFW-UHFFFAOYSA-N
XLogP4.01
TPSA71.24 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide?
The IUPAC name of 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide (CID 11210957) is 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide.
What is the SMILES notation for 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide?
The canonical SMILES for 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide is CC(C)/N=C(\N)c1ccc2c(c1)sc1c(=O)[nH]c3ccccc3c12.
What is the InChIKey of 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide?
The InChIKey is OQGYGYBQDPSWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-10(2)21-18(20)11-7-8-13-15(9-11)24-17-16(13)12-5-3-4-6-14(12)22-19(17)23/h3-10H,1-2H3,(H2,20,21)(H,22,23).
What are the key properties of 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide?
6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide has a molecular weight of 335.43 g/mol, XLogP of 4.01, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-9-carboximidamide is sourced from PubChem (CID 11210957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).