[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone

C23H28ClN3O3S — CID 55674032

IUPAC[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C23H28ClN3O3S/c1-16(2)18-7-8-20-19(15-18)5-4-12-27(20)23(28)17-9-13-26(14-10-17)31(29,30)21-6-3-11-25-22(21)24/h3,6-8,11,15-17H,4-5,9-10,12-14H2,1-2H3
InChIKeyIKVKMZFOHGXUHG-UHFFFAOYSA-N
MW462.02 g/mol
LogP4.24
Rot. Bonds4

About [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone

[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 55674032) has the molecular formula C23H28ClN3O3S and a molecular weight of 462.02 g/mol. Its IUPAC name is [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

Compound Name[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
PubChem CID55674032
Molecular FormulaC23H28ClN3O3S
Molecular Weight462.02 g/mol
Exact Mass461.15
IUPAC Name[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
SMILESCC(C)c1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1
InChIInChI=1S/C23H28ClN3O3S/c1-16(2)18-7-8-20-19(15-18)5-4-12-27(20)23(28)17-9-13-26(14-10-17)31(29,30)21-6-3-11-25-22(21)24/h3,6-8,11,15-17H,4-5,9-10,12-14H2,1-2H3
InChIKeyIKVKMZFOHGXUHG-UHFFFAOYSA-N
XLogP4.24
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.02
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31845377
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(2-methylpiperidin-1-yl)methanone
CID 51331040
1-[4-(6-propan-2-yl-3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]butan-1-one
CID 87025069
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone
CID 31148405
(6,8-difluoro-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-propan-2-ylphenyl)sulfonylpiperidin-4-yl]methanone
CID 55768472
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[1-(3,4-difluorophenyl)-2-(methylamino)-2-oxoethyl]piperidine-4-carboxamide
CID 55509813
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-pentan-2-ylpiperidine-4-carboxamide
CID 46512813
1-(cyclobutanecarbonyl)-N-(4-propan-2-ylphenyl)-2,3-dihydroindole-5-sulfonamide
CID 20853270
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26083799
N-[(2R)-butan-2-yl]-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92877058
1-[(2-chloro-3-pyridinyl)sulfonyl]-N-[2-(2,3-dihydro-1H-inden-5-yloxy)ethyl]piperidine-4-carboxamide
CID 55903667
[1-(2,5-difluorophenyl)sulfonylpiperidin-4-yl]-(3,4-dihydro-2H-1,5-naphthyridin-1-yl)methanone
CID 24678468

Frequently Asked Questions

What is the IUPAC name of [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The IUPAC name of [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone (CID 55674032) is [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone.
What is the SMILES notation for [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The canonical SMILES for [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone is CC(C)c1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cccnc2Cl)CC1.
What is the InChIKey of [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
The InChIKey is IKVKMZFOHGXUHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28ClN3O3S/c1-16(2)18-7-8-20-19(15-18)5-4-12-27(20)23(28)17-9-13-26(14-10-17)31(29,30)21-6-3-11-25-22(21)24/h3,6-8,11,15-17H,4-5,9-10,12-14H2,1-2H3.
What are the key properties of [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone?
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 462.02 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 55674032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).