(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone

C26H28N2O3S — CID 26083799

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H28N2O3S/c1-19-8-11-25-23(17-19)7-4-14-28(25)26(29)21-12-15-27(16-13-21)32(30,31)24-10-9-20-5-2-3-6-22(20)18-24/h2-3,5-6,8-11,17-18,21H,4,7,12-16H2,1H3
InChIKeyDXSYUTGCRGHDGF-UHFFFAOYSA-N
MW448.59 g/mol
LogP4.53
Rot. Bonds3

About (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone (PubChem CID 26083799) has the molecular formula C26H28N2O3S and a molecular weight of 448.59 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
PubChem CID26083799
Molecular FormulaC26H28N2O3S
Molecular Weight448.59 g/mol
Exact Mass448.18
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1
InChIInChI=1S/C26H28N2O3S/c1-19-8-11-25-23(17-19)7-4-14-28(25)26(29)21-12-15-27(16-13-21)32(30,31)24-10-9-20-5-2-3-6-22(20)18-24/h2-3,5-6,8-11,17-18,21H,4,7,12-16H2,1H3
InChIKeyDXSYUTGCRGHDGF-UHFFFAOYSA-N
XLogP4.53
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.59
LogP ≤ 54.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone with MolForge

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Related Compounds

[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288933
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 60537839
3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
1-[4-[4-(3,4-dihydro-2H-quinoline-1-carbonyl)piperidin-1-yl]sulfonylphenyl]ethanone
CID 17498465
1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]-N-cyclopropylpiperidine-4-carboxamide
CID 46361785
[(2S,6S)-2,6-dimethylpiperidin-1-yl]-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 8795472
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone
CID 31148405
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
cyclobutyl-[5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]methanone
CID 20853258
N-[(2R)-butan-2-yl]-1-[[1-(cyclobutanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]sulfonyl]piperidine-4-carboxamide
CID 92877058
4-[1-[(1-acetyl-3,4-dihydro-2H-quinolin-6-yl)sulfonyl]piperidine-4-carbonyl]-1,3-dihydroquinoxalin-2-one
CID 46361733
N-[1-(cyclopropanecarbonyl)-3,4-dihydro-2H-quinolin-6-yl]-3-methylbenzenesulfonamide
CID 7498808

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone (CID 26083799) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone is Cc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2ccc3ccccc3c2)CC1.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
The InChIKey is DXSYUTGCRGHDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O3S/c1-19-8-11-25-23(17-19)7-4-14-28(25)26(29)21-12-15-27(16-13-21)32(30,31)24-10-9-20-5-2-3-6-22(20)18-24/h2-3,5-6,8-11,17-18,21H,4,7,12-16H2,1H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone has a molecular weight of 448.59 g/mol, XLogP of 4.53, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone is sourced from PubChem (CID 26083799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).