N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide

C14H15BrClN3O — CID 133436542

IUPACN-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCNc1ccc2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C14H15BrClN3O/c1-9(20)17-5-2-6-18-13-4-3-10-7-11(15)8-12(16)14(10)19-13/h3-4,7-8H,2,5-6H2,1H3,(H,17,20)(H,18,19)
InChIKeyAZLNOMXCSUBFIT-UHFFFAOYSA-N
MW356.65 g/mol
LogP3.59
Rot. Bonds5

About N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide

N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide (PubChem CID 133436542) has the molecular formula C14H15BrClN3O and a molecular weight of 356.65 g/mol. Its IUPAC name is N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide.

Molecular Properties

Compound NameN-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide
PubChem CID133436542
Molecular FormulaC14H15BrClN3O
Molecular Weight356.65 g/mol
Exact Mass355.01
IUPAC NameN-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide
SMILESCC(=O)NCCCNc1ccc2cc(Br)cc(Cl)c2n1
InChIInChI=1S/C14H15BrClN3O/c1-9(20)17-5-2-6-18-13-4-3-10-7-11(15)8-12(16)14(10)19-13/h3-4,7-8H,2,5-6H2,1H3,(H,17,20)(H,18,19)
InChIKeyAZLNOMXCSUBFIT-UHFFFAOYSA-N
XLogP3.59
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.65
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[(6-bromo-8-chloroquinolin-2-yl)amino]propan-1-ol
CID 75445295
N-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethyl]ethanesulfonamide
CID 133437081
3-[2-[(6-bromo-8-chloroquinolin-2-yl)amino]ethylsulfanyl]propan-1-ol
CID 133437196
4-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N,N-dimethylbenzamide
CID 133436485
1-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]cyclobutan-1-ol
CID 133437290
3-[(6-bromo-8-chloroquinolin-2-yl)amino]butan-1-ol
CID 133436638
N-[3-[[7-(difluoromethoxy)quinolin-2-yl]amino]propyl]acetamide
CID 166284103
3-[[(6-bromo-8-chloroquinolin-2-yl)amino]methyl]-N-methylbenzenesulfonamide
CID 133436656
8-chloro-6-iodo-N-propylquinolin-2-amine
CID 107608062
1-(6-bromo-8-chloroquinolin-2-yl)-N-propylpiperidine-4-carboxamide
CID 133436506
N-[2-[3-(4-bromo-2-chlorophenoxy)propylcarbamoylamino]ethyl]acetamide
CID 108882534
N-(4-acetamidobutyl)-3-bromo-5-chlorobenzamide
CID 110609883

Frequently Asked Questions

What is the IUPAC name of N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide?
The IUPAC name of N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide (CID 133436542) is N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide.
What is the SMILES notation for N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide?
The canonical SMILES for N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide is CC(=O)NCCCNc1ccc2cc(Br)cc(Cl)c2n1.
What is the InChIKey of N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide?
The InChIKey is AZLNOMXCSUBFIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClN3O/c1-9(20)17-5-2-6-18-13-4-3-10-7-11(15)8-12(16)14(10)19-13/h3-4,7-8H,2,5-6H2,1H3,(H,17,20)(H,18,19).
What are the key properties of N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide?
N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide has a molecular weight of 356.65 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(6-bromo-8-chloroquinolin-2-yl)amino]propyl]acetamide is sourced from PubChem (CID 133436542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).