2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline

C23H16N2O2S — CID 45112101

IUPAC2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
SMILESO=[N+]([O-])c1cccc(C2Cc3nc4ccccc4c(-c4ccccc4)c3S2)c1
InChIInChI=1S/C23H16N2O2S/c26-25(27)17-10-6-9-16(13-17)21-14-20-23(28-21)22(15-7-2-1-3-8-15)18-11-4-5-12-19(18)24-20/h1-13,21H,14H2
InChIKeyQGXQEPQFICMDHB-UHFFFAOYSA-N
MW384.46 g/mol
LogP6.20
Rot. Bonds3

About 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline

2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline (PubChem CID 45112101) has the molecular formula C23H16N2O2S and a molecular weight of 384.46 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline.

Molecular Properties

Compound Name2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
PubChem CID45112101
Molecular FormulaC23H16N2O2S
Molecular Weight384.46 g/mol
Exact Mass384.09
IUPAC Name2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline
SMILESO=[N+]([O-])c1cccc(C2Cc3nc4ccccc4c(-c4ccccc4)c3S2)c1
InChIInChI=1S/C23H16N2O2S/c26-25(27)17-10-6-9-16(13-17)21-14-20-23(28-21)22(15-7-2-1-3-8-15)18-11-4-5-12-19(18)24-20/h1-13,21H,14H2
InChIKeyQGXQEPQFICMDHB-UHFFFAOYSA-N
XLogP6.20
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.46
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

7-chloro-2,9-diphenyl-2,3-dihydrothieno[3,2-b]quinoline
CID 45112234
3-(3-nitrophenyl)-3,4-dihydropyrano[4,3-b]quinolin-1-one
CID 102134787
2,6-bis(3-nitrophenyl)thian-4-one
CID 10089760
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
1,1'-biphenyl;1,3-dinitrobenzene
CID 174540087
1-(3-nitrophenyl)-3-phenylbenzene
CID 12623202
3-(3-nitrophenyl)-(1,2-15N2)3H-diazirine
CID 164713943
6-nitro-2-[3-(6-nitro-4-phenylquinolin-2-yl)phenyl]-4-phenylquinoline
CID 10650785
(3S)-2-(2-methylphenyl)-3-(3-nitrophenyl)-5-phenyl-3,4-dihydropyrazole
CID 7385749
7-(3-nitrophenyl)-5-phenyl-4,7-dihydrotetrazolo[1,5-a]pyrimidine
CID 3723397
1-(3-nitrophenyl)-2,4-dihydro-1H-benzo[f]quinolin-3-one
CID 2857782
4-(3-nitrophenyl)quinoline-2-carboxamide
CID 70487298

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The IUPAC name of 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline (CID 45112101) is 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline.
What is the SMILES notation for 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The canonical SMILES for 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline is O=[N+]([O-])c1cccc(C2Cc3nc4ccccc4c(-c4ccccc4)c3S2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
The InChIKey is QGXQEPQFICMDHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N2O2S/c26-25(27)17-10-6-9-16(13-17)21-14-20-23(28-21)22(15-7-2-1-3-8-15)18-11-4-5-12-19(18)24-20/h1-13,21H,14H2.
What are the key properties of 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline?
2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline has a molecular weight of 384.46 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-9-phenyl-2,3-dihydrothieno[3,2-b]quinoline is sourced from PubChem (CID 45112101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).