(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

C24H28N4O2S — CID 23744148

IUPAC(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1c(C(=O)N2CCN(CCO)CC2)sc2nc3c(cc12)CC(c1ccccc1)CC3
InChIInChI=1S/C24H28N4O2S/c25-21-19-15-18-14-17(16-4-2-1-3-5-16)6-7-20(18)26-23(19)31-22(21)24(30)28-10-8-27(9-11-28)12-13-29/h1-5,15,17,29H,6-14,25H2
InChIKeyJVSRHNZZEILEJV-UHFFFAOYSA-N
MW436.58 g/mol
LogP2.90
Rot. Bonds4

About (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone

(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (PubChem CID 23744148) has the molecular formula C24H28N4O2S and a molecular weight of 436.58 g/mol. Its IUPAC name is (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
PubChem CID23744148
Molecular FormulaC24H28N4O2S
Molecular Weight436.58 g/mol
Exact Mass436.19
IUPAC Name(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone
SMILESNc1c(C(=O)N2CCN(CCO)CC2)sc2nc3c(cc12)CC(c1ccccc1)CC3
InChIInChI=1S/C24H28N4O2S/c25-21-19-15-18-14-17(16-4-2-1-3-5-16)6-7-20(18)26-23(19)31-22(21)24(30)28-10-8-27(9-11-28)12-13-29/h1-5,15,17,29H,6-14,25H2
InChIKeyJVSRHNZZEILEJV-UHFFFAOYSA-N
XLogP2.90
TPSA82.69 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-Morpholinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 615872
2-(1-Piperidinylcarbonyl)-5,6,7,8-tetrahydrothieno(2,3-B)quinolin-3-amine
CID 697512
6-Phenyl-2-(pyrrolidine-1-carbonyl)thieno(2,3-b)pyridin-3-amine
CID 3726387
2-(4-Morpholinylcarbonyl)-6,7,8,9-tetrahydro-5H-cyclohepta[B]thieno[3,2-E]pyridin-3-amine
CID 671405
8,10-dimethyl-4-(4-methylphenyl)-3,4-dihydro-1H-pyrido[3',2':4,5]thieno[3,2-e][1,4]diazepine-2,5-dione
CID 2816682
3-amino-N-(2,6-difluorophenyl)-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1508263
3-amino-N-benzyl-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridine-2-carboxamide
CID 1541121
3-Amino-2-phenylcarbamoyl-5,6,7,8-tetrahydrothieno-[2,3-b]quinoline
CID 4575187
3-amino-N,N-diethyl-6-phenylthieno[2,3-b]pyridine-2-carboxamide
CID 1541587
3-amino-N-(2-ethyl-6-methylphenyl)-5-oxo-5,6,7,8-tetrahydrothieno[2,3-b]quinoline-2-carboxamide
CID 2015058
2-(4-morpholinylcarbonyl)-6,7-dihydro-5H-cyclopenta[b]thieno[3,2-e]pyridin-3-amine
CID 797675
(3-Amino-6-methyl-5,6,7,8-tetrahydrothieno[2,3-b][1,6]naphthyridin-2-yl)(4-fluorophenyl)methanone
CID 690869

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The IUPAC name of (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone (CID 23744148) is (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone.
What is the SMILES notation for (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The canonical SMILES for (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is Nc1c(C(=O)N2CCN(CCO)CC2)sc2nc3c(cc12)CC(c1ccccc1)CC3.
What is the InChIKey of (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
The InChIKey is JVSRHNZZEILEJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2S/c25-21-19-15-18-14-17(16-4-2-1-3-5-16)6-7-20(18)26-23(19)31-22(21)24(30)28-10-8-27(9-11-28)12-13-29/h1-5,15,17,29H,6-14,25H2.
What are the key properties of (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone?
(3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone has a molecular weight of 436.58 g/mol, XLogP of 2.90, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-phenyl-5,6,7,8-tetrahydrothieno[2,3-b]quinolin-2-yl)-[4-(2-hydroxyethyl)piperazin-1-yl]methanone is sourced from PubChem (CID 23744148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).