2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one

C20H23ClN2OS — CID 167004367

IUPAC2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one
SMILESCCC1(c2ccccc2)C2=C(CC(C)(C)CC2=O)NC2N=C(Cl)SC21
InChIInChI=1S/C20H23ClN2OS/c1-4-20(12-8-6-5-7-9-12)15-13(10-19(2,3)11-14(15)24)22-17-16(20)25-18(21)23-17/h5-9,16-17,22H,4,10-11H2,1-3H3
InChIKeyNPXPTIGCWGSEJY-UHFFFAOYSA-N
MW374.94 g/mol
LogP4.62
Rot. Bonds2

About 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one

2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one (PubChem CID 167004367) has the molecular formula C20H23ClN2OS and a molecular weight of 374.94 g/mol. Its IUPAC name is 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one.

Molecular Properties

Compound Name2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one
PubChem CID167004367
Molecular FormulaC20H23ClN2OS
Molecular Weight374.94 g/mol
Exact Mass374.12
IUPAC Name2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one
SMILESCCC1(c2ccccc2)C2=C(CC(C)(C)CC2=O)NC2N=C(Cl)SC21
InChIInChI=1S/C20H23ClN2OS/c1-4-20(12-8-6-5-7-9-12)15-13(10-19(2,3)11-14(15)24)22-17-16(20)25-18(21)23-17/h5-9,16-17,22H,4,10-11H2,1-3H3
InChIKeyNPXPTIGCWGSEJY-UHFFFAOYSA-N
XLogP4.62
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.94
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one with MolForge

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Related Compounds

(4S)-4-ethyl-7,7-dimethyl-4-phenyl-1,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 136980453
9-ethyl-2,6,6-trimethyl-9-phenyl-5,7-dihydro-4H-benzo[f][1,3]benzothiazol-8-one
CID 147193418
6-(4-chlorophenyl)-9,9-dimethyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one;ethanol
CID 75176321
4-ethyl-3,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydrobenzo[f]indazol-5-one
CID 157118494
9-(4-chloro-3-phenylphenyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 22117821
9-(2-chloro-3-pyridinyl)-3,3,6,6-tetramethyl-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 51058218
(4S)-4-ethyl-3,7,7-trimethyl-1-phenyl-4,6,8,9-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 135726741
(6S)-9,9-dimethyl-6-phenyl-6,8,10,11-tetrahydro-5H-benzo[b][1,4]benzodiazepin-7-one
CID 667861
(4S,4aS)-4-ethyl-7,7-dimethyl-4-phenyl-1,4a,6,8-tetrahydropyrazolo[5,4-b]quinolin-5-one
CID 137348563
(4S)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7344544
(4R)-4-(2-chlorophenyl)-7,7-dimethyl-3,4,6,8-tetrahydro-1H-quinazoline-2,5-dione
CID 7344542
4-ethyl-4-phenylpyrrolidin-2-one
CID 66107809

Frequently Asked Questions

What is the IUPAC name of 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one?
The IUPAC name of 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one (CID 167004367) is 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one.
What is the SMILES notation for 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one?
The canonical SMILES for 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one is CCC1(c2ccccc2)C2=C(CC(C)(C)CC2=O)NC2N=C(Cl)SC21.
What is the InChIKey of 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one?
The InChIKey is NPXPTIGCWGSEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN2OS/c1-4-20(12-8-6-5-7-9-12)15-13(10-19(2,3)11-14(15)24)22-17-16(20)25-18(21)23-17/h5-9,16-17,22H,4,10-11H2,1-3H3.
What are the key properties of 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one?
2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one has a molecular weight of 374.94 g/mol, XLogP of 4.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-9-ethyl-6,6-dimethyl-9-phenyl-4,5,7,9a-tetrahydro-3aH-[1,3]thiazolo[4,5-b]quinolin-8-one is sourced from PubChem (CID 167004367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).