N,N-dibromoquinolin-2-amine;dihydrate

C9H10Br2N2O2 — CID 174663380

IUPACN,N-dibromoquinolin-2-amine;dihydrate
SMILESBrN(Br)c1ccc2ccccc2n1.O.O
InChIInChI=1S/C9H6Br2N2.2H2O/c10-13(11)9-6-5-7-3-1-2-4-8(7)12-9;;/h1-6H;2*1H2
InChIKeyKEZXWTXGTAPZKE-UHFFFAOYSA-N
MW338.00 g/mol
LogP2.01
Rot. Bonds1

About N,N-dibromoquinolin-2-amine;dihydrate

N,N-dibromoquinolin-2-amine;dihydrate (PubChem CID 174663380) has the molecular formula C9H10Br2N2O2 and a molecular weight of 338.00 g/mol. Its IUPAC name is N,N-dibromoquinolin-2-amine;dihydrate.

Molecular Properties

Compound NameN,N-dibromoquinolin-2-amine;dihydrate
PubChem CID174663380
Molecular FormulaC9H10Br2N2O2
Molecular Weight338.00 g/mol
Exact Mass335.91
IUPAC NameN,N-dibromoquinolin-2-amine;dihydrate
SMILESBrN(Br)c1ccc2ccccc2n1.O.O
InChIInChI=1S/C9H6Br2N2.2H2O/c10-13(11)9-6-5-7-3-1-2-4-8(7)12-9;;/h1-6H;2*1H2
InChIKeyKEZXWTXGTAPZKE-UHFFFAOYSA-N
XLogP2.01
TPSA79.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.00
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-chloro-N-methylquinolin-2-amine
CID 87550890
1-phenyl-1-quinolin-2-ylhydrazine
CID 176877682
N,N-dibutylquinolin-2-amine
CID 125488581
N-methyl-N-naphthalen-2-ylquinolin-2-amine
CID 70891325
N-phenyl-N-propan-2-ylquinolin-2-amine
CID 59282154
2-fluoroquinoline;methane
CID 156751124
N-methyl-N-(3-methylbutyl)quinolin-2-amine
CID 175306450
N-(4-methylphenyl)-N-propan-2-ylquinolin-2-amine
CID 59308723
N-(2-cyclopropylethyl)-N-methylquinolin-2-amine
CID 133398513
acridine;dihydrate
CID 172843020
2-iodoquinoline
CID 159061150
N-[(4-aminophenyl)methyl]-N-methylquinolin-2-amine
CID 60875520

Frequently Asked Questions

What is the IUPAC name of N,N-dibromoquinolin-2-amine;dihydrate?
The IUPAC name of N,N-dibromoquinolin-2-amine;dihydrate (CID 174663380) is N,N-dibromoquinolin-2-amine;dihydrate.
What is the SMILES notation for N,N-dibromoquinolin-2-amine;dihydrate?
The canonical SMILES for N,N-dibromoquinolin-2-amine;dihydrate is BrN(Br)c1ccc2ccccc2n1.O.O.
What is the InChIKey of N,N-dibromoquinolin-2-amine;dihydrate?
The InChIKey is KEZXWTXGTAPZKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Br2N2.2H2O/c10-13(11)9-6-5-7-3-1-2-4-8(7)12-9;;/h1-6H;2*1H2.
What are the key properties of N,N-dibromoquinolin-2-amine;dihydrate?
N,N-dibromoquinolin-2-amine;dihydrate has a molecular weight of 338.00 g/mol, XLogP of 2.01, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dibromoquinolin-2-amine;dihydrate is sourced from PubChem (CID 174663380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).