1-(2-bromoquinolin-3-yl)cyclopropan-1-amine

C12H11BrN2 — CID 116985405

IUPAC1-(2-bromoquinolin-3-yl)cyclopropan-1-amine
SMILESNC1(c2cc3ccccc3nc2Br)CC1
InChIInChI=1S/C12H11BrN2/c13-11-9(12(14)5-6-12)7-8-3-1-2-4-10(8)15-11/h1-4,7H,5-6,14H2
InChIKeyMQZRFGSJWZYUBV-UHFFFAOYSA-N
MW263.14 g/mol
LogP2.95
Rot. Bonds1

About 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine

1-(2-bromoquinolin-3-yl)cyclopropan-1-amine (PubChem CID 116985405) has the molecular formula C12H11BrN2 and a molecular weight of 263.14 g/mol. Its IUPAC name is 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine.

Molecular Properties

Compound Name1-(2-bromoquinolin-3-yl)cyclopropan-1-amine
PubChem CID116985405
Molecular FormulaC12H11BrN2
Molecular Weight263.14 g/mol
Exact Mass262.01
IUPAC Name1-(2-bromoquinolin-3-yl)cyclopropan-1-amine
SMILESNC1(c2cc3ccccc3nc2Br)CC1
InChIInChI=1S/C12H11BrN2/c13-11-9(12(14)5-6-12)7-8-3-1-2-4-10(8)15-11/h1-4,7H,5-6,14H2
InChIKeyMQZRFGSJWZYUBV-UHFFFAOYSA-N
XLogP2.95
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.14
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

[1-(2-bromoquinolin-3-yl)cyclobutyl]methanol
CID 116985380
3-(2-bromoquinolin-3-yl)oxetane-3-carboxylic acid
CID 116985384
1-(2-chloroquinolin-4-yl)cyclopropan-1-amine
CID 171792050
acridine
CID 21226281
2-bromo-3-(2-bromophenyl)quinoline
CID 170972432
2-(2-bromoquinolin-3-yl)propan-1-amine
CID 116985284
2-bromo-3-(1-bromoethyl)quinoline
CID 22745004
1-(2-bromophenyl)cycloheptan-1-amine
CID 62830904
acridine;methane
CID 21324126
acridine;sulfane
CID 159134653
acridine;iron
CID 158030240
acridine;dihydrate
CID 172843020

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine?
The IUPAC name of 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine (CID 116985405) is 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine.
What is the SMILES notation for 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine?
The canonical SMILES for 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine is NC1(c2cc3ccccc3nc2Br)CC1.
What is the InChIKey of 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine?
The InChIKey is MQZRFGSJWZYUBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2/c13-11-9(12(14)5-6-12)7-8-3-1-2-4-10(8)15-11/h1-4,7H,5-6,14H2.
What are the key properties of 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine?
1-(2-bromoquinolin-3-yl)cyclopropan-1-amine has a molecular weight of 263.14 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoquinolin-3-yl)cyclopropan-1-amine is sourced from PubChem (CID 116985405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).