(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

C16H20N2O — CID 106313883

IUPAC(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC1=CCCN(C(=O)C2CCNc3ccccc32)C1
InChIInChI=1S/C16H20N2O/c1-12-5-4-10-18(11-12)16(19)14-8-9-17-15-7-3-2-6-13(14)15/h2-3,5-7,14,17H,4,8-11H2,1H3
InChIKeyLFFBSIWAOJXSBV-UHFFFAOYSA-N
MW256.35 g/mol
LogP2.76
Rot. Bonds1

About (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone

(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (PubChem CID 106313883) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.

Molecular Properties

Compound Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
PubChem CID106313883
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone
SMILESCC1=CCCN(C(=O)C2CCNc3ccccc32)C1
InChIInChI=1S/C16H20N2O/c1-12-5-4-10-18(11-12)16(19)14-8-9-17-15-7-3-2-6-13(14)15/h2-3,5-7,14,17H,4,8-11H2,1H3
InChIKeyLFFBSIWAOJXSBV-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone with MolForge

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Related Compounds

Hydrocarbostyril
CID 64796
Propanamide, N-(1-ethyl-1,2,3,4-tetrahydro-2,2,4-trimethyl-7-quinolinyl)-
CID 112580
1-(3-(4-Butyl-1-piperidinyl)propyl)-3,4-dihydro-2(1H)-quinolinone
CID 10236758
1-Propionyl-1,2,3,4-tetrahydroquinoline
CID 583808
(4S)-N-[(3S)-2,6-dioxopiperidin-3-yl]-1,2,3,4-tetrahydroquinoline-4-carboxamide
CID 137526050
N-Benzyl-4-(2-diphenyl)-1-piperazinehexanamide
CID 25107518
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 9908450
N-(cyanomethyl)-4-methyl-2-{3-[4-(piperazin-1-yl)phenyl]phenyl}pentanamide
CID 10200425
(2R)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10862359
N-(cyanomethyl)-3-cyclopropyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}propanamide
CID 10905508
(4S)-N-(cyanomethyl)-4-methyl-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}hexanamide
CID 10938664
N-(cyanomethyl)-2-{3-[4-(4-methylpiperazin-1-yl)phenyl]phenyl}pentanamide
CID 10971179

Frequently Asked Questions

What is the IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The IUPAC name of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone (CID 106313883) is (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone.
What is the SMILES notation for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The canonical SMILES for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is CC1=CCCN(C(=O)C2CCNc3ccccc32)C1.
What is the InChIKey of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
The InChIKey is LFFBSIWAOJXSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-12-5-4-10-18(11-12)16(19)14-8-9-17-15-7-3-2-6-13(14)15/h2-3,5-7,14,17H,4,8-11H2,1H3.
What are the key properties of (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone?
(5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone has a molecular weight of 256.35 g/mol, XLogP of 2.76, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-3,6-dihydro-2H-pyridin-1-yl)-(1,2,3,4-tetrahydroquinolin-4-yl)methanone is sourced from PubChem (CID 106313883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).