(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

C18H19N3OS — CID 29479052

IUPAC(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C18H19N3OS/c1-11-6-7-15-13(9-11)5-4-8-21(15)17(22)16-10-14-12(2)19-20(3)18(14)23-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyITIRXGPMRJJFOG-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.84
Rot. Bonds1

About (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone

(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 29479052) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID29479052
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1cc2c(C)nn(C)c2s1
InChIInChI=1S/C18H19N3OS/c1-11-6-7-15-13(9-11)5-4-8-21(15)17(22)16-10-14-12(2)19-20(3)18(14)23-16/h6-7,9-10H,4-5,8H2,1-3H3
InChIKeyITIRXGPMRJJFOG-UHFFFAOYSA-N
XLogP3.84
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone with MolForge

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Related Compounds

(6-bromo-8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 86887108
3,4-dihydro-2H-quinolin-1-yl-[1-(4-fluorophenyl)-3-methylthieno[3,2-d]pyrazol-5-yl]methanone
CID 2097036
1-methyl-4-(6-methyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyrazole-3-carboxylic acid
CID 19498626
2-amino-2-methyl-1-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 61264398
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-[(2R)-2-[(2S)-1-methylpyrrolidin-2-yl]pyrrolidin-1-yl]methanone
CID 95286876
(6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridin-4-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 134028095
(2,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103608124
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(4-methylpiperidin-1-yl)methanone
CID 51305036
[2-(3,5-dimethylphenyl)pyrrolidin-1-yl]-(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)methanone
CID 86951494
6-(3,4-dihydro-2H-quinoline-1-carbonyl)-1,3-dimethylthieno[2,3-d]pyrimidine-2,4-dione
CID 44616069
(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-pyrrolidin-1-ylmethanone
CID 115578642

Frequently Asked Questions

What is the IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 29479052) is (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1cc2c(C)nn(C)c2s1.
What is the InChIKey of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is ITIRXGPMRJJFOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-11-6-7-15-13(9-11)5-4-8-21(15)17(22)16-10-14-12(2)19-20(3)18(14)23-16/h6-7,9-10H,4-5,8H2,1-3H3.
What are the key properties of (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone?
(1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 325.44 g/mol, XLogP of 3.84, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethylthieno[3,2-d]pyrazol-5-yl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 29479052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).