1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one

C18H20N2O — CID 95326480

IUPAC1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESC[C@@H]1Cc2ccccc2N(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C18H20N2O/c1-14-11-16-6-2-3-7-17(16)20(13-14)18(21)9-8-15-5-4-10-19-12-15/h2-7,10,12,14H,8-9,11,13H2,1H3/t14-/m1/s1
InChIKeyFRDOFDXONHBLMJ-CQSZACIVSA-N
MW280.37 g/mol
LogP3.24
Rot. Bonds3

About 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one

1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one (PubChem CID 95326480) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
PubChem CID95326480
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one
SMILESC[C@@H]1Cc2ccccc2N(C(=O)CCc2cccnc2)C1
InChIInChI=1S/C18H20N2O/c1-14-11-16-6-2-3-7-17(16)20(13-14)18(21)9-8-15-5-4-10-19-12-15/h2-7,10,12,14H,8-9,11,13H2,1H3/t14-/m1/s1
InChIKeyFRDOFDXONHBLMJ-CQSZACIVSA-N
XLogP3.24
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one (CID 95326480) is 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one is C[C@@H]1Cc2ccccc2N(C(=O)CCc2cccnc2)C1.
What is the InChIKey of 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one?
The InChIKey is FRDOFDXONHBLMJ-CQSZACIVSA-N. The full InChI is InChI=1S/C18H20N2O/c1-14-11-16-6-2-3-7-17(16)20(13-14)18(21)9-8-15-5-4-10-19-12-15/h2-7,10,12,14H,8-9,11,13H2,1H3/t14-/m1/s1.
What are the key properties of 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one?
1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one has a molecular weight of 280.37 g/mol, XLogP of 3.24, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-methyl-3,4-dihydro-2H-quinolin-1-yl]-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 95326480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).