2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride

C12H12BrClN2O2 — CID 174670065

IUPAC2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride
SMILESCl.Nc1cc2ccc(Br)cc2nc1CCOC=O
InChIInChI=1S/C12H11BrN2O2.ClH/c13-9-2-1-8-5-10(14)11(3-4-17-7-16)15-12(8)6-9;/h1-2,5-7H,3-4,14H2;1H
InChIKeyGDZZYRFRFCSKSW-UHFFFAOYSA-N
MW331.60 g/mol
LogP2.72
Rot. Bonds4

About 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride

2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride (PubChem CID 174670065) has the molecular formula C12H12BrClN2O2 and a molecular weight of 331.60 g/mol. Its IUPAC name is 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride.

Molecular Properties

Compound Name2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride
PubChem CID174670065
Molecular FormulaC12H12BrClN2O2
Molecular Weight331.60 g/mol
Exact Mass329.98
IUPAC Name2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride
SMILESCl.Nc1cc2ccc(Br)cc2nc1CCOC=O
InChIInChI=1S/C12H11BrN2O2.ClH/c13-9-2-1-8-5-10(14)11(3-4-17-7-16)15-12(8)6-9;/h1-2,5-7H,3-4,14H2;1H
InChIKeyGDZZYRFRFCSKSW-UHFFFAOYSA-N
XLogP2.72
TPSA65.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.60
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride?
The IUPAC name of 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride (CID 174670065) is 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride.
What is the SMILES notation for 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride?
The canonical SMILES for 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride is Cl.Nc1cc2ccc(Br)cc2nc1CCOC=O.
What is the InChIKey of 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride?
The InChIKey is GDZZYRFRFCSKSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O2.ClH/c13-9-2-1-8-5-10(14)11(3-4-17-7-16)15-12(8)6-9;/h1-2,5-7H,3-4,14H2;1H.
What are the key properties of 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride?
2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride has a molecular weight of 331.60 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-amino-7-bromoquinolin-2-yl)ethyl formate;hydrochloride is sourced from PubChem (CID 174670065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).