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

C20H19N3O2S — CID 11188825

IUPAC9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide
SMILESCOc1ccc2c(c1)sc1c(=O)[nH]c3ccc(/C(N)=N/C(C)C)cc3c12
InChIInChI=1S/C20H19N3O2S/c1-10(2)22-19(21)11-4-7-15-14(8-11)17-13-6-5-12(25-3)9-16(13)26-18(17)20(24)23-15/h4-10H,1-3H3,(H2,21,22)(H,23,24)
InChIKeyNUUMPUZXFLHGLL-UHFFFAOYSA-N
MW365.46 g/mol
LogP4.02
Rot. Bonds3

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

9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide (PubChem CID 11188825) has the molecular formula C20H19N3O2S and a molecular weight of 365.46 g/mol. Its IUPAC name is 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide.

Molecular Properties

Compound Name9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide
PubChem CID11188825
Molecular FormulaC20H19N3O2S
Molecular Weight365.46 g/mol
Exact Mass365.12
IUPAC Name9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide
SMILESCOc1ccc2c(c1)sc1c(=O)[nH]c3ccc(/C(N)=N/C(C)C)cc3c12
InChIInChI=1S/C20H19N3O2S/c1-10(2)22-19(21)11-4-7-15-14(8-11)17-13-6-5-12(25-3)9-16(13)26-18(17)20(24)23-15/h4-10H,1-3H3,(H2,21,22)(H,23,24)
InChIKeyNUUMPUZXFLHGLL-UHFFFAOYSA-N
XLogP4.02
TPSA80.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.46
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

3-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 5091486
10-methoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 1779937
5-[3-(Dimethylamino)propyl]-9-methoxy-[1]benzothiolo[2,3-c]quinolin-6-one
CID 10428987
methyl 6-oxo-9-(N'-propan-2-ylcarbamimidoyl)-5H-[1]benzothiolo[2,3-c]quinoline-2-carboxylate
CID 11362431
methyl 6-oxo-2-(N'-propan-2-ylcarbamimidoyl)-5H-[1]benzothiolo[2,3-c]quinoline-9-carboxylate
CID 11417972
3-chloro-6-methoxy-N-[4-(N'-propan-2-ylcarbamimidoyl)phenyl]-1-benzothiophene-2-carboxamide
CID 11476126
6-methoxy-N-[4-(1-methylpiperidin-4-yl)phenyl]-1-benzothiophene-2-carboxamide
CID 70687212
2-methoxy-5H-[1]benzothiolo[2,3-c]quinolin-6-one
CID 12492124
6-(6-Methoxybenzo[b]thiophen-2-yl)-3-methyl-2-phenylquinazolin-4(3h)-one
CID 129766509
9,10-dimethoxy[1]benzothieno[2,3-c]quinolin-6(5H)-one
CID 7307435
N-[4-[(2Z)-2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]-1-benzothiophene-2-carboxamide
CID 69213649
N-[4-[2-(7-methoxy-3,3-dimethyl-2,4-dihydroisoquinolin-1-ylidene)acetyl]phenyl]-1-benzothiophene-2-carboxamide
CID 69213654

Frequently Asked Questions

What is the IUPAC name of 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide?
The IUPAC name of 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide (CID 11188825) is 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide.
What is the SMILES notation for 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide?
The canonical SMILES for 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide is COc1ccc2c(c1)sc1c(=O)[nH]c3ccc(/C(N)=N/C(C)C)cc3c12.
What is the InChIKey of 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide?
The InChIKey is NUUMPUZXFLHGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O2S/c1-10(2)22-19(21)11-4-7-15-14(8-11)17-13-6-5-12(25-3)9-16(13)26-18(17)20(24)23-15/h4-10H,1-3H3,(H2,21,22)(H,23,24).
What are the key properties of 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide?
9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide has a molecular weight of 365.46 g/mol, XLogP of 4.02, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methoxy-6-oxo-N'-propan-2-yl-5H-[1]benzothiolo[2,3-c]quinoline-2-carboximidamide is sourced from PubChem (CID 11188825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).