(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone

C23H28N2O3S — CID 8758893

IUPAC(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H28N2O3S/c1-17-8-11-21-19(15-17)7-6-14-25(21)23(26)20-10-9-18(2)22(16-20)29(27,28)24-12-4-3-5-13-24/h8-11,15-16H,3-7,12-14H2,1-2H3
InChIKeyHDCCVQDDOSHWON-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.07
Rot. Bonds3

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

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (PubChem CID 8758893) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
PubChem CID8758893
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC Name(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
SMILESCc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H28N2O3S/c1-17-8-11-21-19(15-17)7-6-14-25(21)23(26)20-10-9-18(2)22(16-20)29(27,28)24-12-4-3-5-13-24/h8-11,15-16H,3-7,12-14H2,1-2H3
InChIKeyHDCCVQDDOSHWON-UHFFFAOYSA-N
XLogP4.07
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(3-pyrrolidin-1-ylsulfonylthiophen-2-yl)methanone
CID 55522961
(3,4-dihydroxyphenyl)-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 103955497
[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-(1-methylsulfonyl-3,4-dihydro-2H-quinolin-6-yl)methanone
CID 26283470
(3-methyl-4-nitrophenyl)-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26466057
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-naphthalen-2-ylmethanone
CID 26083928
4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2057274
[4-(difluoromethylsulfonyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 26083698
(2-chloro-5-methylphenyl) 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 2673663
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(2-methyl-1-methylsulfonyl-2,3-dihydroindol-5-yl)methanone
CID 51201013
1-methyl-4-(6-pyrrolidin-1-ylsulfonyl-3,4-dihydro-2H-quinoline-1-carbonyl)pyridin-2-one
CID 55574428
(6-methylsulfonyl-3,4-dihydro-2H-quinolin-1-yl)-(3-piperidin-1-ylsulfonylphenyl)methanone
CID 55661488
[4-(bromomethyl)phenyl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 102850817

Frequently Asked Questions

What is the IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The IUPAC name of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone (CID 8758893) is (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone.
What is the SMILES notation for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The canonical SMILES for (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is Cc1ccc2c(c1)CCCN2C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
The InChIKey is HDCCVQDDOSHWON-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-17-8-11-21-19(15-17)7-6-14-25(21)23(26)20-10-9-18(2)22(16-20)29(27,28)24-12-4-3-5-13-24/h8-11,15-16H,3-7,12-14H2,1-2H3.
What are the key properties of (6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone?
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone has a molecular weight of 412.56 g/mol, XLogP of 4.07, 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)-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone is sourced from PubChem (CID 8758893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).