N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine

C15H18BrClN2 — CID 80674237

IUPACN-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
SMILESCC(C)N(CCCBr)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H18BrClN2/c1-11(2)19(9-3-7-16)15-6-8-18-14-10-12(17)4-5-13(14)15/h4-6,8,10-11H,3,7,9H2,1-2H3
InChIKeyWGFKTVMOVZKNKD-UHFFFAOYSA-N
MW341.68 g/mol
LogP4.89
Rot. Bonds5

About N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine

N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine (PubChem CID 80674237) has the molecular formula C15H18BrClN2 and a molecular weight of 341.68 g/mol. Its IUPAC name is N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine.

Molecular Properties

Compound NameN-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
PubChem CID80674237
Molecular FormulaC15H18BrClN2
Molecular Weight341.68 g/mol
Exact Mass340.03
IUPAC NameN-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine
SMILESCC(C)N(CCCBr)c1ccnc2cc(Cl)ccc12
InChIInChI=1S/C15H18BrClN2/c1-11(2)19(9-3-7-16)15-6-8-18-14-10-12(17)4-5-13(14)15/h4-6,8,10-11H,3,7,9H2,1-2H3
InChIKeyWGFKTVMOVZKNKD-UHFFFAOYSA-N
XLogP4.89
TPSA16.13 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.68
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N'-(7-chloroquinolin-4-yl)-N'-propan-2-ylpropane-1,3-diamine
CID 60869676
3-[(7-chloroquinolin-4-yl)-propan-2-ylamino]-N'-hydroxypropanimidamide
CID 76911583
1-[(7-chloroquinolin-4-yl)-methylamino]propan-2-ol
CID 55061126
5-[(7-chloroquinolin-4-yl)-methylamino]pentan-1-ol
CID 107203509
2-[butan-2-yl-(7-chloroquinolin-4-yl)amino]acetic acid
CID 60840202
7-chloro-N-methyl-N-pentan-2-ylquinolin-4-amine
CID 175101237
7-chloro-N-ethyl-N-methylquinolin-4-amine
CID 123939218
2-[(7-chloroquinolin-4-yl)-methylamino]ethanol
CID 60631611
N-[(2S)-4-bromobutan-2-yl]-7-chloroquinolin-4-amine
CID 129361750
N-(3-bromopropyl)-5-chloro-N-propan-2-ylpyridin-2-amine
CID 80674565
N',N'-bis(7-chloroquinolin-4-yl)octane-1,8-diamine
CID 57117786
N-(2-bromoethyl)-7-chloro-N-cyclohexylquinolin-4-amine
CID 80666227

Frequently Asked Questions

What is the IUPAC name of N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine?
The IUPAC name of N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine (CID 80674237) is N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine.
What is the SMILES notation for N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine?
The canonical SMILES for N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine is CC(C)N(CCCBr)c1ccnc2cc(Cl)ccc12.
What is the InChIKey of N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine?
The InChIKey is WGFKTVMOVZKNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2/c1-11(2)19(9-3-7-16)15-6-8-18-14-10-12(17)4-5-13(14)15/h4-6,8,10-11H,3,7,9H2,1-2H3.
What are the key properties of N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine?
N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine has a molecular weight of 341.68 g/mol, XLogP of 4.89, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromopropyl)-7-chloro-N-propan-2-ylquinolin-4-amine is sourced from PubChem (CID 80674237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).