(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone

C18H15ClN2OS — CID 689248

IUPAC(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H15ClN2OS/c19-12-7-5-10(6-8-12)16(22)17-15(20)13-9-11-3-1-2-4-14(11)21-18(13)23-17/h5-9H,1-4,20H2
InChIKeyLDTPLXPHPYRTJH-UHFFFAOYSA-N
MW342.85 g/mol
LogP4.64
Rot. Bonds2

About (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone

(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone (PubChem CID 689248) has the molecular formula C18H15ClN2OS and a molecular weight of 342.85 g/mol. Its IUPAC name is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone
PubChem CID689248
Molecular FormulaC18H15ClN2OS
Molecular Weight342.85 g/mol
Exact Mass342.06
IUPAC Name(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone
SMILESNc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(cc12)CCCC3
InChIInChI=1S/C18H15ClN2OS/c19-12-7-5-10(6-8-12)16(22)17-15(20)13-9-11-3-1-2-4-14(11)21-18(13)23-17/h5-9H,1-4,20H2
InChIKeyLDTPLXPHPYRTJH-UHFFFAOYSA-N
XLogP4.64
TPSA55.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.85
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone?
The IUPAC name of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone (CID 689248) is (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone.
What is the SMILES notation for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone?
The canonical SMILES for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone is Nc1c(C(=O)c2ccc(Cl)cc2)sc2nc3c(cc12)CCCC3.
What is the InChIKey of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone?
The InChIKey is LDTPLXPHPYRTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2OS/c19-12-7-5-10(6-8-12)16(22)17-15(20)13-9-11-3-1-2-4-14(11)21-18(13)23-17/h5-9H,1-4,20H2.
What are the key properties of (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone?
(3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone has a molecular weight of 342.85 g/mol, XLogP of 4.64, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-(4-chlorophenyl)methanone is sourced from PubChem (CID 689248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).