6-bromo-4-pyrrolidin-1-ylquinolin-3-amine

C13H14BrN3 — CID 43621123

IUPAC6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1N1CCCC1
InChIInChI=1S/C13H14BrN3/c14-9-3-4-12-10(7-9)13(11(15)8-16-12)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,15H2
InChIKeyYMCCOLLNUCHPDW-UHFFFAOYSA-N
MW292.18 g/mol
LogP3.18
Rot. Bonds1

About 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine

6-bromo-4-pyrrolidin-1-ylquinolin-3-amine (PubChem CID 43621123) has the molecular formula C13H14BrN3 and a molecular weight of 292.18 g/mol. Its IUPAC name is 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
PubChem CID43621123
Molecular FormulaC13H14BrN3
Molecular Weight292.18 g/mol
Exact Mass291.04
IUPAC Name6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
SMILESNc1cnc2ccc(Br)cc2c1N1CCCC1
InChIInChI=1S/C13H14BrN3/c14-9-3-4-12-10(7-9)13(11(15)8-16-12)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,15H2
InChIKeyYMCCOLLNUCHPDW-UHFFFAOYSA-N
XLogP3.18
TPSA42.15 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.18
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
CID 63624085
[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]methanol
CID 43621280
1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
CID 106835353
6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
CID 107390554
6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
CID 63971710
6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
CID 103530492
6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
CID 81450399
6-bromo-4-N-cyclopentylquinoline-3,4-diamine
CID 43621174
6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
CID 43621313
6-bromo-4-morpholin-4-ylquinoline-3-carbaldehyde
CID 141453765
6-bromo-4-N-cyclopentyl-4-N-methylquinoline-3,4-diamine
CID 43621293
6-bromo-4-N-(cyclohexylmethyl)quinoline-3,4-diamine
CID 43621310

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine?
The IUPAC name of 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine (CID 43621123) is 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine.
What is the SMILES notation for 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine?
The canonical SMILES for 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine is Nc1cnc2ccc(Br)cc2c1N1CCCC1.
What is the InChIKey of 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine?
The InChIKey is YMCCOLLNUCHPDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3/c14-9-3-4-12-10(7-9)13(11(15)8-16-12)17-5-1-2-6-17/h3-4,7-8H,1-2,5-6,15H2.
What are the key properties of 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine?
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine has a molecular weight of 292.18 g/mol, XLogP of 3.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-pyrrolidin-1-ylquinolin-3-amine is sourced from PubChem (CID 43621123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).