(4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one

C26H23FN2O2S — CID 27210714

IUPAC(4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@@H]2c1ccc(F)cc1
InChIInChI=1S/C26H23FN2O2S/c1-26(2)12-17-20(18(30)13-26)19(14-8-10-16(27)11-9-14)21-22(28)24(32-25(21)29-17)23(31)15-6-4-3-5-7-15/h3-11,19,29H,12-13,28H2,1-2H3/t19-/m1/s1
InChIKeyKVMFIBFCXDEJNW-LJQANCHMSA-N
MW446.55 g/mol
LogP5.90
Rot. Bonds3

About (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one

(4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one (PubChem CID 27210714) has the molecular formula C26H23FN2O2S and a molecular weight of 446.55 g/mol. Its IUPAC name is (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one.

Molecular Properties

Compound Name(4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one
PubChem CID27210714
Molecular FormulaC26H23FN2O2S
Molecular Weight446.55 g/mol
Exact Mass446.15
IUPAC Name(4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one
SMILESCC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@@H]2c1ccc(F)cc1
InChIInChI=1S/C26H23FN2O2S/c1-26(2)12-17-20(18(30)13-26)19(14-8-10-16(27)11-9-14)21-22(28)24(32-25(21)29-17)23(31)15-6-4-3-5-7-15/h3-11,19,29H,12-13,28H2,1-2H3/t19-/m1/s1
InChIKeyKVMFIBFCXDEJNW-LJQANCHMSA-N
XLogP5.90
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.55
LogP ≤ 55.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one with MolForge

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Related Compounds

(6R)-3-benzoyl-6-(4-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 51451916
(6S)-2-benzoyl-6-(4-fluorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 40581548
(4R)-4-(4-fluorophenyl)-7,7-dimethyl-1,2,4,6,8,9-hexahydropyrazolo[3,4-b]quinoline-3,5-dione
CID 27878221
4-(4-fluorophenyl)-2,7,7-trimethyl-N-(2-methylphenyl)-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 3142899
N-(2-fluorophenyl)-4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 2901043
propan-2-yl 4-(4-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 3145942
4-(4-fluorophenyl)-2,7,7-trimethyl-3-(piperidine-1-carbonyl)-1,4,6,8-tetrahydroquinolin-5-one
CID 3464795
2-cyclopentyl-3-(4-fluorobenzoyl)-7,7-dimethyl-4-thiophen-3-yl-1,4,6,8-tetrahydroquinolin-5-one
CID 21334053
8,8-dimethyl-5-phenyl-2,4-bis(sulfanylidene)-5,7,9,10-tetrahydro-1H-pyrimido[4,5-b]quinolin-6-one
CID 139215948
methyl 2-cyclopentyl-4-(4-fluorophenyl)-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxylate
CID 22481035
(4R)-4-(4-chlorophenyl)-N-(2-fluorophenyl)-2,7,7-trimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carboxamide
CID 92848650
9-(4-fluorophenyl)-3,3,6,6-tetramethyl-2,4,5,8,9,10-hexahydroacridine-1,7-dione
CID 102459228

Frequently Asked Questions

What is the IUPAC name of (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one?
The IUPAC name of (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one (CID 27210714) is (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one.
What is the SMILES notation for (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one?
The canonical SMILES for (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one is CC1(C)CC(=O)C2=C(C1)Nc1sc(C(=O)c3ccccc3)c(N)c1[C@@H]2c1ccc(F)cc1.
What is the InChIKey of (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one?
The InChIKey is KVMFIBFCXDEJNW-LJQANCHMSA-N. The full InChI is InChI=1S/C26H23FN2O2S/c1-26(2)12-17-20(18(30)13-26)19(14-8-10-16(27)11-9-14)21-22(28)24(32-25(21)29-17)23(31)15-6-4-3-5-7-15/h3-11,19,29H,12-13,28H2,1-2H3/t19-/m1/s1.
What are the key properties of (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one?
(4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one has a molecular weight of 446.55 g/mol, XLogP of 5.90, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-amino-2-benzoyl-4-(4-fluorophenyl)-7,7-dimethyl-4,6,8,9-tetrahydrothieno[2,3-b]quinolin-5-one is sourced from PubChem (CID 27210714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).