2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione

C20H10Cl2N2S2 — CID 14178328

IUPAC2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione
SMILESS=c1c2cc(Cl)ccc2[nH]c2cc3c(=S)c4cc(Cl)ccc4[nH]c3cc12
InChIInChI=1S/C20H10Cl2N2S2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-8H,(H,23,25)(H,24,26)
InChIKeyUGQUOJMAMORWCD-UHFFFAOYSA-N
MW413.35 g/mol
LogP7.72
Rot. Bonds

About 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione

2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione (PubChem CID 14178328) has the molecular formula C20H10Cl2N2S2 and a molecular weight of 413.35 g/mol. Its IUPAC name is 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione.

Molecular Properties

Compound Name2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione
PubChem CID14178328
Molecular FormulaC20H10Cl2N2S2
Molecular Weight413.35 g/mol
Exact Mass411.97
IUPAC Name2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione
SMILESS=c1c2cc(Cl)ccc2[nH]c2cc3c(=S)c4cc(Cl)ccc4[nH]c3cc12
InChIInChI=1S/C20H10Cl2N2S2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-8H,(H,23,25)(H,24,26)
InChIKeyUGQUOJMAMORWCD-UHFFFAOYSA-N
XLogP7.72
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.35
LogP ≤ 57.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

2-chloro-9-methyl-5,12-dihydroquinolino[2,3-b]acridine-7,14-dione
CID 59775439
5,14,23-trichloro-9,18,27-triazaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3(8),4,6,11(19),12(17),13,15,21(26),22,24-dodecaene
CID 177401984
5-bromo-3-chloro-9H-carbazole
CID 156561509
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanamide
CID 71483149
5-chloro-3-methyl-1H-indole-2-carboxamide
CID 14567452
6-chloro-3-prop-2-enyl-9H-carbazol-2-ol
CID 25143902
2-chloro-7,7-dimethyl-5H-indeno[2,1-b]carbazole
CID 141461619
2-tert-butyl-5-chloro-1H-indole-3-thiol
CID 15122877
5-chloro-3-phenyl-2-(trifluoromethyl)-1H-indole
CID 1472079
(2S)-2-(6-chloro-9H-carbazol-2-yl)propanoate
CID 6919166
5-chloro-3-methoxy-1H-indole-2-carbaldehyde
CID 82394983
6-chloro-4-methoxy-1H-quinolin-2-one
CID 67443391

Frequently Asked Questions

What is the IUPAC name of 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione?
The IUPAC name of 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione (CID 14178328) is 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione.
What is the SMILES notation for 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione?
The canonical SMILES for 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione is S=c1c2cc(Cl)ccc2[nH]c2cc3c(=S)c4cc(Cl)ccc4[nH]c3cc12.
What is the InChIKey of 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione?
The InChIKey is UGQUOJMAMORWCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H10Cl2N2S2/c21-9-1-3-15-11(5-9)19(25)13-8-18-14(7-17(13)23-15)20(26)12-6-10(22)2-4-16(12)24-18/h1-8H,(H,23,25)(H,24,26).
What are the key properties of 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione?
2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione has a molecular weight of 413.35 g/mol, XLogP of 7.72, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,9-dichloro-5,12-dihydroquinolino[2,3-b]acridine-7,14-dithione is sourced from PubChem (CID 14178328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).