(6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate

C16H17BrN2O2 — CID 174433356

IUPAC(6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate
SMILESCc1cc(N2CCCC2)c2cc(Br)c(COC=O)cc2n1
InChIInChI=1S/C16H17BrN2O2/c1-11-6-16(19-4-2-3-5-19)13-8-14(17)12(9-21-10-20)7-15(13)18-11/h6-8,10H,2-5,9H2,1H3
InChIKeyMRZFEOGDBQVYDX-UHFFFAOYSA-N
MW349.23 g/mol
LogP3.58
Rot. Bonds4

About (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate

(6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate (PubChem CID 174433356) has the molecular formula C16H17BrN2O2 and a molecular weight of 349.23 g/mol. Its IUPAC name is (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate.

Molecular Properties

Compound Name(6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate
PubChem CID174433356
Molecular FormulaC16H17BrN2O2
Molecular Weight349.23 g/mol
Exact Mass348.05
IUPAC Name(6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate
SMILESCc1cc(N2CCCC2)c2cc(Br)c(COC=O)cc2n1
InChIInChI=1S/C16H17BrN2O2/c1-11-6-16(19-4-2-3-5-19)13-8-14(17)12(9-21-10-20)7-15(13)18-11/h6-8,10H,2-5,9H2,1H3
InChIKeyMRZFEOGDBQVYDX-UHFFFAOYSA-N
XLogP3.58
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.23
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate?
The IUPAC name of (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate (CID 174433356) is (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate.
What is the SMILES notation for (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate?
The canonical SMILES for (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate is Cc1cc(N2CCCC2)c2cc(Br)c(COC=O)cc2n1.
What is the InChIKey of (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate?
The InChIKey is MRZFEOGDBQVYDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17BrN2O2/c1-11-6-16(19-4-2-3-5-19)13-8-14(17)12(9-21-10-20)7-15(13)18-11/h6-8,10H,2-5,9H2,1H3.
What are the key properties of (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate?
(6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate has a molecular weight of 349.23 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-2-methyl-4-pyrrolidin-1-ylquinolin-7-yl)methyl formate is sourced from PubChem (CID 174433356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).