(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone

C26H29N3O4S — CID 31148405

IUPAC(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1
InChIInChI=1S/C26H29N3O4S/c1-18-15-21-5-3-7-24(25(21)27-17-18)34(31,32)28-13-10-19(11-14-28)26(30)29-12-4-6-20-16-22(33-2)8-9-23(20)29/h3,5,7-9,15-17,19H,4,6,10-14H2,1-2H3
InChIKeyUSEOXEWNOOWYRO-UHFFFAOYSA-N
MW479.60 g/mol
LogP3.93
Rot. Bonds4

About (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone

(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone (PubChem CID 31148405) has the molecular formula C26H29N3O4S and a molecular weight of 479.60 g/mol. Its IUPAC name is (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone.

Molecular Properties

Compound Name(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone
PubChem CID31148405
Molecular FormulaC26H29N3O4S
Molecular Weight479.60 g/mol
Exact Mass479.19
IUPAC Name(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone
SMILESCOc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1
InChIInChI=1S/C26H29N3O4S/c1-18-15-21-5-3-7-24(25(21)27-17-18)34(31,32)28-13-10-19(11-14-28)26(30)29-12-4-6-20-16-22(33-2)8-9-23(20)29/h3,5,7-9,15-17,19H,4,6,10-14H2,1-2H3
InChIKeyUSEOXEWNOOWYRO-UHFFFAOYSA-N
XLogP3.93
TPSA79.81 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.60
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone with MolForge

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[1-(4-methoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 17497860
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-naphthalen-2-ylsulfonylpiperidin-4-yl)methanone
CID 26083799
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-piperidin-4-ylmethanone
CID 61261030
[1-(4-ethoxyphenyl)sulfonylpiperidin-4-yl]-(6-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 31288933
3-methyl-8-(4-pyrrolidin-2-ylpiperidin-1-yl)sulfonylquinoline;hydrochloride
CID 120714217
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-(6-propan-2-yl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 55674032
(5-bromo-2,3-dihydroindol-1-yl)-[1-(2,5-dimethoxyphenyl)sulfonylpiperidin-4-yl]methanone
CID 100799676
2-[4-[6-(trifluoromethoxy)-3,4-dihydro-2H-quinoline-1-carbonyl]piperidin-1-yl]sulfonylbenzonitrile
CID 55671661
[1-[(2-chloro-3-pyridinyl)sulfonyl]piperidin-4-yl]-[6-(trifluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]methanone
CID 31845377
(6-bromo-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]methanone
CID 60537839
3-methyl-8-[(3S)-3-(trifluoromethyl)piperidin-1-yl]sulfonylquinoline
CID 36506249
N-[2-(2-fluorophenoxy)ethyl]-1-(3-methylquinolin-8-yl)sulfonylpiperidine-4-carboxamide
CID 38459999

Frequently Asked Questions

What is the IUPAC name of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone?
The IUPAC name of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone (CID 31148405) is (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone.
What is the SMILES notation for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone?
The canonical SMILES for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone is COc1ccc2c(c1)CCCN2C(=O)C1CCN(S(=O)(=O)c2cccc3cc(C)cnc23)CC1.
What is the InChIKey of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone?
The InChIKey is USEOXEWNOOWYRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O4S/c1-18-15-21-5-3-7-24(25(21)27-17-18)34(31,32)28-13-10-19(11-14-28)26(30)29-12-4-6-20-16-22(33-2)8-9-23(20)29/h3,5,7-9,15-17,19H,4,6,10-14H2,1-2H3.
What are the key properties of (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone?
(6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone has a molecular weight of 479.60 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[1-(3-methylquinolin-8-yl)sulfonylpiperidin-4-yl]methanone is sourced from PubChem (CID 31148405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).