2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride

C17H13ClN4OS — CID 42625706

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride
SMILESCl.O=c1[nH]c2ncc(C3=NCCN3)cc2c2c1sc1ccccc12
InChIInChI=1S/C17H12N4OS.ClH/c22-17-14-13(10-3-1-2-4-12(10)23-14)11-7-9(8-20-16(11)21-17)15-18-5-6-19-15;/h1-4,7-8H,5-6H2,(H,18,19)(H,20,21,22);1H
InChIKeyWFVDSTBEDXJQQB-UHFFFAOYSA-N
MW356.84 g/mol
LogP3.06
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride (PubChem CID 42625706) has the molecular formula C17H13ClN4OS and a molecular weight of 356.84 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride
PubChem CID42625706
Molecular FormulaC17H13ClN4OS
Molecular Weight356.84 g/mol
Exact Mass356.05
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride
SMILESCl.O=c1[nH]c2ncc(C3=NCCN3)cc2c2c1sc1ccccc12
InChIInChI=1S/C17H12N4OS.ClH/c22-17-14-13(10-3-1-2-4-12(10)23-14)11-7-9(8-20-16(11)21-17)15-18-5-6-19-15;/h1-4,7-8H,5-6H2,(H,18,19)(H,20,21,22);1H
InChIKeyWFVDSTBEDXJQQB-UHFFFAOYSA-N
XLogP3.06
TPSA70.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.84
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride (CID 42625706) is 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride is Cl.O=c1[nH]c2ncc(C3=NCCN3)cc2c2c1sc1ccccc12.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride?
The InChIKey is WFVDSTBEDXJQQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N4OS.ClH/c22-17-14-13(10-3-1-2-4-12(10)23-14)11-7-9(8-20-16(11)21-17)15-18-5-6-19-15;/h1-4,7-8H,5-6H2,(H,18,19)(H,20,21,22);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride has a molecular weight of 356.84 g/mol, XLogP of 3.06, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-5H-[1]benzothiolo[2,3-c][1,8]naphthyridin-6-one;hydrochloride is sourced from PubChem (CID 42625706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).