6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine

C14H16BrN3O — CID 103530492

IUPAC6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
SMILESCOC1CCN(c2c(N)cnc3ccc(Br)cc23)C1
InChIInChI=1S/C14H16BrN3O/c1-19-10-4-5-18(8-10)14-11-6-9(15)2-3-13(11)17-7-12(14)16/h2-3,6-7,10H,4-5,8,16H2,1H3
InChIKeySSPBIEQLTCKNJM-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.80
Rot. Bonds2

About 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine

6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine (PubChem CID 103530492) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
PubChem CID103530492
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC Name6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine
SMILESCOC1CCN(c2c(N)cnc3ccc(Br)cc23)C1
InChIInChI=1S/C14H16BrN3O/c1-19-10-4-5-18(8-10)14-11-6-9(15)2-3-13(11)17-7-12(14)16/h2-3,6-7,10H,4-5,8,16H2,1H3
InChIKeySSPBIEQLTCKNJM-UHFFFAOYSA-N
XLogP2.80
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-bromo-4-[4-(methoxymethyl)piperidin-1-yl]quinolin-3-amine
CID 63971710
[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]methanol
CID 43621280
6-bromo-4-(4-methylazepan-1-yl)quinolin-3-amine
CID 63624085
6-bromo-4-pyrrolidin-1-ylquinolin-3-amine
CID 43621123
1-[1-(3-amino-6-bromoquinolin-4-yl)piperidin-4-yl]ethanol
CID 106835353
6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
CID 81450399
6-bromo-4-(3-methoxy-3-methylpiperidin-1-yl)quinolin-3-amine
CID 107390554
6-(3-methoxypyrrolidin-1-yl)quinolin-5-amine
CID 103530385
6-bromo-4-N-(1-methylpiperidin-4-yl)quinoline-3,4-diamine
CID 43621313
4-[3-(methoxymethyl)pyrrolidin-1-yl]quinolin-3-amine
CID 103963369
3-bromo-8-(4-methoxypiperidin-1-yl)quinolin-5-amine
CID 106949030
7-bromo-4-[(3S)-3-methoxypyrrolidin-1-yl]-2-methylquinazoline
CID 69460039

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine?
The IUPAC name of 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine (CID 103530492) is 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine?
The canonical SMILES for 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine is COC1CCN(c2c(N)cnc3ccc(Br)cc23)C1.
What is the InChIKey of 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine?
The InChIKey is SSPBIEQLTCKNJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c1-19-10-4-5-18(8-10)14-11-6-9(15)2-3-13(11)17-7-12(14)16/h2-3,6-7,10H,4-5,8,16H2,1H3.
What are the key properties of 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine?
6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine has a molecular weight of 322.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-(3-methoxypyrrolidin-1-yl)quinolin-3-amine is sourced from PubChem (CID 103530492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).