(6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten

C15H15N2OW- — CID 59061960

IUPAC(6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten
SMILESCc1ccc2n[c-]cc(C(=O)N3CCCC3)c2c1.[W]
InChIInChI=1S/C15H15N2O.W/c1-11-4-5-14-13(10-11)12(6-7-16-14)15(18)17-8-2-3-9-17;/h4-6,10H,2-3,8-9H2,1H3;/q-1;
InChIKeyHCQQMBAYRORIBF-UHFFFAOYSA-N
MW423.14 g/mol
LogP2.58
Rot. Bonds1

About (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten

(6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten (PubChem CID 59061960) has the molecular formula C15H15N2OW- and a molecular weight of 423.14 g/mol. Its IUPAC name is (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten.

Molecular Properties

Compound Name(6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten
PubChem CID59061960
Molecular FormulaC15H15N2OW-
Molecular Weight423.14 g/mol
Exact Mass423.07
IUPAC Name(6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten
SMILESCc1ccc2n[c-]cc(C(=O)N3CCCC3)c2c1.[W]
InChIInChI=1S/C15H15N2O.W/c1-11-4-5-14-13(10-11)12(6-7-16-14)15(18)17-8-2-3-9-17;/h4-6,10H,2-3,8-9H2,1H3;/q-1;
InChIKeyHCQQMBAYRORIBF-UHFFFAOYSA-N
XLogP2.58
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.14
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten?
The IUPAC name of (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten (CID 59061960) is (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten.
What is the SMILES notation for (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten?
The canonical SMILES for (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten is Cc1ccc2n[c-]cc(C(=O)N3CCCC3)c2c1.[W].
What is the InChIKey of (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten?
The InChIKey is HCQQMBAYRORIBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N2O.W/c1-11-4-5-14-13(10-11)12(6-7-16-14)15(18)17-8-2-3-9-17;/h4-6,10H,2-3,8-9H2,1H3;/q-1;.
What are the key properties of (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten?
(6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten has a molecular weight of 423.14 g/mol, XLogP of 2.58, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-2H-quinolin-2-id-4-yl)-pyrrolidin-1-ylmethanone;tungsten is sourced from PubChem (CID 59061960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).