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

C19H17N3OS — CID 11450490

IUPAC6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1
InChIInChI=1S/C19H17N3OS/c1-10(2)21-18(20)11-7-8-14-13(9-11)16-12-5-3-4-6-15(12)24-17(16)19(23)22-14/h3-10H,1-2H3,(H2,20,21)(H,22,23)
InChIKeyKLTFIYCFZPZYRT-UHFFFAOYSA-N
MW335.43 g/mol
LogP4.01
Rot. Bonds2

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

6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide (PubChem CID 11450490) 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-2-carboximidamide.

Molecular Properties

Compound Name6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide
PubChem CID11450490
Molecular FormulaC19H17N3OS
Molecular Weight335.43 g/mol
Exact Mass335.11
IUPAC Name6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide
SMILESCC(C)/N=C(\N)c1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1
InChIInChI=1S/C19H17N3OS/c1-10(2)21-18(20)11-7-8-14-13(9-11)16-12-5-3-4-6-15(12)24-17(16)19(23)22-14/h3-10H,1-2H3,(H2,20,21)(H,22,23)
InChIKeyKLTFIYCFZPZYRT-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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Related Compounds

N-(sec-butyl)-8-methyl-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 4340720
N-cyclohexyl-N,8-dimethyl-4-oxo-5H-thieno[3,2-c]quinoline-2-carboxamide
CID 6622955
N-[3-(dimethylamino)propyl]-6-oxo-5H-[1]benzothiolo[2,3-c]quinoline-9-carboxamide
CID 10894978
5-[3-(Dimethylamino)propyl]-[1]benzothiolo[2,3-c]quinolin-6-one
CID 11823910
[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 12402280
N-Benzyl-N-ethyl-8-methyl-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16010637
8-Methyl-N-(4-methylcyclohexyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16010645
N,8-dimethyl-N-(2-methylphenyl)-4-oxo-4,5-dihydrothieno[3,2-c]quinoline-2-carboxamide
CID 16188024
N-Ethyl-8-methyl-N-(3-methylphenyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16188302
N-Ethyl-8-methyl-N-(2-methylphenyl)-4-oxo-4H,5H-thieno[3,2-C]quinoline-2-carboxamide
CID 16189381
9-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c]quinolin-6-one;hydrochloride
CID 60153700
2-(4,5-dihydro-1H-imidazol-2-yl)-5-methyl-[1]benzothiolo[2,3-c]quinolin-6-one;hydrochloride
CID 60153706

Frequently Asked Questions

What is the IUPAC name of 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide?
The IUPAC name of 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide (CID 11450490) is 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide.
What is the SMILES notation for 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide?
The canonical SMILES for 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide is CC(C)/N=C(\N)c1ccc2[nH]c(=O)c3sc4ccccc4c3c2c1.
What is the InChIKey of 6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide?
The InChIKey is KLTFIYCFZPZYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3OS/c1-10(2)21-18(20)11-7-8-14-13(9-11)16-12-5-3-4-6-15(12)24-17(16)19(23)22-14/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-2-carboximidamide?
6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-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-2-carboximidamide is sourced from PubChem (CID 11450490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).