4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride

C25H29ClN4O3S2 — CID 44827108

IUPAC4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
SMILESCC(C)N1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1.Cl
InChIInChI=1S/C25H28N4O3S2.ClH/c1-17(2)28-15-13-21-23(16-28)33-25(26-21)27-24(30)19-9-11-20(12-10-19)34(31,32)29-14-5-7-18-6-3-4-8-22(18)29;/h3-4,6,8-12,17H,5,7,13-16H2,1-2H3,(H,26,27,30);1H
InChIKeyROIJLSGVZNNVRM-UHFFFAOYSA-N
MW533.12 g/mol
LogP4.73
Rot. Bonds5

About 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride

4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride (PubChem CID 44827108) has the molecular formula C25H29ClN4O3S2 and a molecular weight of 533.12 g/mol. Its IUPAC name is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride.

Molecular Properties

Compound Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
PubChem CID44827108
Molecular FormulaC25H29ClN4O3S2
Molecular Weight533.12 g/mol
Exact Mass532.14
IUPAC Name4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
SMILESCC(C)N1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1.Cl
InChIInChI=1S/C25H28N4O3S2.ClH/c1-17(2)28-15-13-21-23(16-28)33-25(26-21)27-24(30)19-9-11-20(12-10-19)34(31,32)29-14-5-7-18-6-3-4-8-22(18)29;/h3-4,6,8-12,17H,5,7,13-16H2,1-2H3,(H,26,27,30);1H
InChIKeyROIJLSGVZNNVRM-UHFFFAOYSA-N
XLogP4.73
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500533.12
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride with MolForge

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Related Compounds

N-[3-(acetamidocarbamoyl)-6-propan-2-yl-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 4121610
4-[bis(2-methylpropyl)sulfamoyl]-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride
CID 18567168
4-chloro-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 16809110
N-(4,5-dichloro-1,3-benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 3593593
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-thia-3-azatetracyclo[6.6.1.02,6.011,15]pentadeca-1(14),2(6),3,7,11(15),12-hexaen-4-yl)benzamide
CID 4524435
N-(6,7-dihydro-[1,4]dioxino[2,3-f][1,3]benzothiazol-2-yl)-4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzamide
CID 2361843
3-(2,3-dihydroindol-1-ylsulfonyl)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)benzamide
CID 2492615
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(6-nitro-1,3-benzothiazol-2-yl)benzamide
CID 2147586
4-(2,3-dihydroindol-1-ylsulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)benzamide
CID 3590382
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(2-pyrrolidin-1-ylphenyl)benzamide
CID 16557757
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-pyridazin-3-ylbenzamide
CID 175506682
2-[[4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)benzoyl]amino]-6-ethyl-5,7-dihydro-4H-thieno[2,3-c]pyridine-3-carboxamide
CID 3285958

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?
The IUPAC name of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride (CID 44827108) is 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride.
What is the SMILES notation for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?
The canonical SMILES for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride is CC(C)N1CCc2nc(NC(=O)c3ccc(S(=O)(=O)N4CCCc5ccccc54)cc3)sc2C1.Cl.
What is the InChIKey of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?
The InChIKey is ROIJLSGVZNNVRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O3S2.ClH/c1-17(2)28-15-13-21-23(16-28)33-25(26-21)27-24(30)19-9-11-20(12-10-19)34(31,32)29-14-5-7-18-6-3-4-8-22(18)29;/h3-4,6,8-12,17H,5,7,13-16H2,1-2H3,(H,26,27,30);1H.
What are the key properties of 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride?
4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride has a molecular weight of 533.12 g/mol, XLogP of 4.73, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-N-(5-propan-2-yl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide;hydrochloride is sourced from PubChem (CID 44827108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).