N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine

C17H20BrN3 — CID 116784963

IUPACN-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESBrc1cnc2c(N3CCC(CNC4CC4)C3)cccc2c1
InChIInChI=1S/C17H20BrN3/c18-14-8-13-2-1-3-16(17(13)20-10-14)21-7-6-12(11-21)9-19-15-4-5-15/h1-3,8,10,12,15,19H,4-7,9,11H2
InChIKeyRUSMVMATINCZHZ-UHFFFAOYSA-N
MW346.27 g/mol
LogP3.58
Rot. Bonds4

About N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine

N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine (PubChem CID 116784963) has the molecular formula C17H20BrN3 and a molecular weight of 346.27 g/mol. Its IUPAC name is N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
PubChem CID116784963
Molecular FormulaC17H20BrN3
Molecular Weight346.27 g/mol
Exact Mass345.08
IUPAC NameN-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine
SMILESBrc1cnc2c(N3CCC(CNC4CC4)C3)cccc2c1
InChIInChI=1S/C17H20BrN3/c18-14-8-13-2-1-3-16(17(13)20-10-14)21-7-6-12(11-21)9-19-15-4-5-15/h1-3,8,10,12,15,19H,4-7,9,11H2
InChIKeyRUSMVMATINCZHZ-UHFFFAOYSA-N
XLogP3.58
TPSA28.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.27
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-bromoquinolin-8-yl)-N-cyclopropylpyrrolidin-3-amine
CID 116785617
N-[[1-(2,4-dibromophenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62511468
N-[[1-(3-bromo-2-methylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 107636396
N-[[1-(3-bromoquinolin-8-yl)pyrazol-3-yl]methyl]cyclopropanamine
CID 116785735
N-[(1-naphthalen-2-ylpyrrolidin-3-yl)methyl]cyclopropanamine
CID 62513614
2-methyl-N-[(1-quinolin-8-ylpyrrolidin-3-yl)methyl]propan-2-amine
CID 62513694
2-[3-[(cyclopropylamino)methyl]pyrrolidin-1-yl]-N,N-dimethylaniline
CID 106760054
(1-quinolin-8-ylpyrrolidin-3-yl)methanol
CID 64863292
N-[[1-(2,4-dimethylphenyl)pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62513057
1-(3-bromoquinolin-8-yl)-2-methylpiperidin-4-amine
CID 116784942
1-(3-benzylquinolin-8-yl)-N-ethylpiperidin-4-amine
CID 143138903
N-[[1-[2-(trifluoromethoxy)phenyl]pyrrolidin-3-yl]methyl]cyclopropanamine
CID 62512722

Frequently Asked Questions

What is the IUPAC name of N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine (CID 116784963) is N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine is Brc1cnc2c(N3CCC(CNC4CC4)C3)cccc2c1.
What is the InChIKey of N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine?
The InChIKey is RUSMVMATINCZHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrN3/c18-14-8-13-2-1-3-16(17(13)20-10-14)21-7-6-12(11-21)9-19-15-4-5-15/h1-3,8,10,12,15,19H,4-7,9,11H2.
What are the key properties of N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine?
N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine has a molecular weight of 346.27 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(3-bromoquinolin-8-yl)pyrrolidin-3-yl]methyl]cyclopropanamine is sourced from PubChem (CID 116784963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).