10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione

C17H11N3S — CID 14690224

IUPAC10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione
SMILESS=c1[nH]ncc2nc3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C17H11N3S/c21-17-16-14(10-18-20-17)19-13-9-5-4-8-12(13)15(16)11-6-2-1-3-7-11/h1-10H,(H,20,21)
InChIKeyMSQTUEBEJNFYQW-UHFFFAOYSA-N
MW289.36 g/mol
LogP4.51
Rot. Bonds1

About 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione

10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione (PubChem CID 14690224) has the molecular formula C17H11N3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione.

Molecular Properties

Compound Name10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione
PubChem CID14690224
Molecular FormulaC17H11N3S
Molecular Weight289.36 g/mol
Exact Mass289.07
IUPAC Name10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione
SMILESS=c1[nH]ncc2nc3ccccc3c(-c3ccccc3)c12
InChIInChI=1S/C17H11N3S/c21-17-16-14(10-18-20-17)19-13-9-5-4-8-12(13)15(16)11-6-2-1-3-7-11/h1-10H,(H,20,21)
InChIKeyMSQTUEBEJNFYQW-UHFFFAOYSA-N
XLogP4.51
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}, {'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

1,3-dihydroimidazole-2-thione;9-phenylacridine
CID 88528417
1,3-dihydroimidazole-2-thione;9-pyridin-3-ylacridine
CID 88528366
12-(4-methylphenyl)benzo[a]acridine
CID 46187960
1-bromo-2-methoxy-9-phenylacridine
CID 11439907
12-phenyl-7-(4-phenylphenyl)benzo[j]phenanthridine
CID 59183703
bis(3,4-diphenylquinoline);hydrate
CID 139201276
3-chloro-2,4-diphenylquinoline
CID 10781654
11-[3-(10-phenylanthracen-9-yl)phenyl]-[1]benzothiolo[2,3-b]quinoline
CID 138662837
ethane;5,6,11,12-tetraphenyltetracene
CID 91142519
9-[4-(bromomethyl)phenyl]acridine
CID 10712694
9-phenylacridin-4-ol
CID 59256664
9-[4-(trifluoromethyl)phenyl]acridine
CID 134960902

Frequently Asked Questions

What is the IUPAC name of 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione?
The IUPAC name of 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione (CID 14690224) is 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione.
What is the SMILES notation for 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione?
The canonical SMILES for 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione is S=c1[nH]ncc2nc3ccccc3c(-c3ccccc3)c12.
What is the InChIKey of 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione?
The InChIKey is MSQTUEBEJNFYQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11N3S/c21-17-16-14(10-18-20-17)19-13-9-5-4-8-12(13)15(16)11-6-2-1-3-7-11/h1-10H,(H,20,21).
What are the key properties of 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione?
10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione has a molecular weight of 289.36 g/mol, XLogP of 4.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 10-phenyl-2H-pyridazino[4,5-b]quinoline-1-thione is sourced from PubChem (CID 14690224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).