(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone

C16H22N2O2 — CID 81129819

IUPAC(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCOc1cccc2c1N(C(=O)[C@H]1CCCNC1)CCC2
InChIInChI=1S/C16H22N2O2/c1-20-14-8-2-5-12-7-4-10-18(15(12)14)16(19)13-6-3-9-17-11-13/h2,5,8,13,17H,3-4,6-7,9-11H2,1H3/t13-/m0/s1
InChIKeyARLGCPBHNPEIAA-ZDUSSCGKSA-N
MW274.36 g/mol
LogP1.97
Rot. Bonds2

About (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone

(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone (PubChem CID 81129819) has the molecular formula C16H22N2O2 and a molecular weight of 274.36 g/mol. Its IUPAC name is (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone.

Molecular Properties

Compound Name(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone
PubChem CID81129819
Molecular FormulaC16H22N2O2
Molecular Weight274.36 g/mol
Exact Mass274.17
IUPAC Name(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone
SMILESCOc1cccc2c1N(C(=O)[C@H]1CCCNC1)CCC2
InChIInChI=1S/C16H22N2O2/c1-20-14-8-2-5-12-7-4-10-18(15(12)14)16(19)13-6-3-9-17-11-13/h2,5,8,13,17H,3-4,6-7,9-11H2,1H3/t13-/m0/s1
InChIKeyARLGCPBHNPEIAA-ZDUSSCGKSA-N
XLogP1.97
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Related Compounds

2-amino-2-cyclopropyl-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)propan-1-one
CID 60951388
2-bromo-1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)ethanone
CID 63681436
2,3-dihydro-1-benzofuran-2-yl-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 47027785
(6-methyl-3,4-dihydro-2H-quinolin-1-yl)-piperidin-3-ylmethanone;hydrochloride
CID 119269291
(1-aminocyclohexyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951658
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-6-carboxylic acid
CID 61157417
1-(piperidine-3-carbonyl)-3,4-dihydro-2H-quinoline-5-carboxylic acid
CID 61160509
[4-(2-methoxyphenyl)piperazin-1-yl]-piperidin-3-ylmethanone;dihydrochloride
CID 119826511
(1-aminocyclopropyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 65466415
1-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-2-[(2-methylpropan-2-yl)oxy]ethanone
CID 115950342
(4-aminophenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 60951513
(3,4-dimethoxyphenyl)-(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 17234056

Frequently Asked Questions

What is the IUPAC name of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The IUPAC name of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone (CID 81129819) is (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone.
What is the SMILES notation for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The canonical SMILES for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone is COc1cccc2c1N(C(=O)[C@H]1CCCNC1)CCC2.
What is the InChIKey of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone?
The InChIKey is ARLGCPBHNPEIAA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H22N2O2/c1-20-14-8-2-5-12-7-4-10-18(15(12)14)16(19)13-6-3-9-17-11-13/h2,5,8,13,17H,3-4,6-7,9-11H2,1H3/t13-/m0/s1.
What are the key properties of (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone?
(8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone has a molecular weight of 274.36 g/mol, XLogP of 1.97, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methoxy-3,4-dihydro-2H-quinolin-1-yl)-[(3S)-piperidin-3-yl]methanone is sourced from PubChem (CID 81129819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).