2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

C17H15N3O2S — CID 671377

IUPAC2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESNc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C17H15N3O2S/c18-15-13-9-11-3-1-2-4-14(11)19-17(13)23-16(15)10-5-7-12(8-6-10)20(21)22/h5-9H,1-4,18H2
InChIKeyIHYZFJACNBFRBN-UHFFFAOYSA-N
MW325.39 g/mol
LogP4.33
Rot. Bonds2

About 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine

2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (PubChem CID 671377) has the molecular formula C17H15N3O2S and a molecular weight of 325.39 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.

Molecular Properties

Compound Name2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
PubChem CID671377
Molecular FormulaC17H15N3O2S
Molecular Weight325.39 g/mol
Exact Mass325.09
IUPAC Name2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
SMILESNc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C17H15N3O2S/c18-15-13-9-11-3-1-2-4-14(11)19-17(13)23-16(15)10-5-7-12(8-6-10)20(21)22/h5-9H,1-4,18H2
InChIKeyIHYZFJACNBFRBN-UHFFFAOYSA-N
XLogP4.33
TPSA82.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.39
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

AE-641/00355019
CID 826449
3-Amino-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carbonitrile
CID 713661
2-[(E)-2-(5-nitrothiophen-2-yl)ethenyl]quinoline
CID 6178517
2-Methylsulfonyl-4,6-diphenyl-3-thieno[2,3-b]pyridinamine
CID 1312940
3-Ethyl-2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-4-amine
CID 946216
3-Methyl-2-phenyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-b]pyridin-4-amine
CID 744146
9-[(4-Nitrophenyl)methylsulfanyl]acridin-3-amine
CID 371147
3-Nitrobenzothiazolo(3,2-a)quinolinium
CID 134086
2-[2-(5-Nitrothiophen-2-yl)ethenyl]quinolin-4-amine
CID 44537324
2-(Benzylsulfonyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine
CID 563313
3-Amino-6-phenylthieno[2,3-b]pyridine-2-carbonitrile
CID 683738
9-(4-Nitrophenyl)sulfanylacridin-3-amine
CID 488715

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The IUPAC name of 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine (CID 671377) is 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine.
What is the SMILES notation for 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The canonical SMILES for 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is Nc1c(-c2ccc([N+](=O)[O-])cc2)sc2nc3c(cc12)CCCC3.
What is the InChIKey of 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
The InChIKey is IHYZFJACNBFRBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2S/c18-15-13-9-11-3-1-2-4-14(11)19-17(13)23-16(15)10-5-7-12(8-6-10)20(21)22/h5-9H,1-4,18H2.
What are the key properties of 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine?
2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine has a molecular weight of 325.39 g/mol, XLogP of 4.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-nitrophenyl)-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-3-amine is sourced from PubChem (CID 671377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).