1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one

C18H16N2O — CID 105121412

IUPAC1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
SMILESCc1ccc2cc(C(=O)CCc3cccnc3)ccc2n1
InChIInChI=1S/C18H16N2O/c1-13-4-6-15-11-16(7-8-17(15)20-13)18(21)9-5-14-3-2-10-19-12-14/h2-4,6-8,10-12H,5,9H2,1H3
InChIKeyLMHMGQDPJCNFFF-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.75
Rot. Bonds4

About 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one

1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one (PubChem CID 105121412) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one.

Molecular Properties

Compound Name1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
PubChem CID105121412
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one
SMILESCc1ccc2cc(C(=O)CCc3cccnc3)ccc2n1
InChIInChI=1S/C18H16N2O/c1-13-4-6-15-11-16(7-8-17(15)20-13)18(21)9-5-14-3-2-10-19-12-14/h2-4,6-8,10-12H,5,9H2,1H3
InChIKeyLMHMGQDPJCNFFF-UHFFFAOYSA-N
XLogP3.75
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-pyridin-3-yl-1-quinolin-3-ylpropan-1-one
CID 105080957
3-(furan-2-yl)-1-(2-methylquinolin-6-yl)propan-1-one
CID 105121476
1-(5-methyl-3-pyridinyl)-3-pyridin-3-ylpropan-1-one
CID 105122781
N-[(2-methylquinolin-6-yl)methyl]-2-pyridin-3-ylethanamine
CID 105378350
1-(4-chloro-3-methoxyphenyl)-3-pyridin-3-ylpropan-1-one
CID 105113721
6-amino-1-(2-methylquinolin-6-yl)hexan-1-one
CID 116549997
1-(3,4-dimethylphenyl)-2-pyridin-3-ylethanone
CID 62548685
4-[4-(2-methylquinolin-6-yl)phenyl]-N-pyridin-3-ylbutanamide
CID 138674422
1-(1-adamantyl)-3-pyridin-3-ylpropan-1-one
CID 23355088
2-cyclobutyl-1-(2-methylquinolin-6-yl)ethanone
CID 103168015
(3-methyl-2-pyridinyl)-(2-methylquinolin-6-yl)methanone
CID 81220178
4-amino-3-methyl-1-(2-methylquinolin-6-yl)butan-1-one
CID 116596565

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one?
The IUPAC name of 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one (CID 105121412) is 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one.
What is the SMILES notation for 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one?
The canonical SMILES for 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one is Cc1ccc2cc(C(=O)CCc3cccnc3)ccc2n1.
What is the InChIKey of 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one?
The InChIKey is LMHMGQDPJCNFFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-4-6-15-11-16(7-8-17(15)20-13)18(21)9-5-14-3-2-10-19-12-14/h2-4,6-8,10-12H,5,9H2,1H3.
What are the key properties of 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one?
1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.75, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylquinolin-6-yl)-3-pyridin-3-ylpropan-1-one is sourced from PubChem (CID 105121412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).