[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone

C18H19N3O2 — CID 54653035

IUPAC[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone
SMILESCN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1
InChIInChI=1S/C18H19N3O2/c1-20-10-15-17(12-6-2-3-8-14(12)20)16(11-22)21(15)18(23)13-7-4-5-9-19-13/h2-9,15-17,22H,10-11H2,1H3/t15-,16+,17+/m0/s1
InChIKeyWCINXDGGQRWIST-GVDBMIGSSA-N
MW309.37 g/mol
LogP1.50
Rot. Bonds2

About [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone

[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone (PubChem CID 54653035) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone
PubChem CID54653035
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone
SMILESCN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1
InChIInChI=1S/C18H19N3O2/c1-20-10-15-17(12-6-2-3-8-14(12)20)16(11-22)21(15)18(23)13-7-4-5-9-19-13/h2-9,15-17,22H,10-11H2,1H3/t15-,16+,17+/m0/s1
InChIKeyWCINXDGGQRWIST-GVDBMIGSSA-N
XLogP1.50
TPSA56.67 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone?
The IUPAC name of [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone (CID 54653035) is [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone is CN1C[C@H]2[C@@H](c3ccccc31)[C@@H](CO)N2C(=O)c1ccccn1.
What is the InChIKey of [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone?
The InChIKey is WCINXDGGQRWIST-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-20-10-15-17(12-6-2-3-8-14(12)20)16(11-22)21(15)18(23)13-7-4-5-9-19-13/h2-9,15-17,22H,10-11H2,1H3/t15-,16+,17+/m0/s1.
What are the key properties of [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone?
[(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone has a molecular weight of 309.37 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,2aR,8bR)-1-(hydroxymethyl)-4-methyl-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-2-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 54653035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).