6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine

C16H21BrN4 — CID 81450399

IUPAC6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
SMILESCC1CN(c2c(N)cnc3ccc(Br)cc23)CC1N(C)C
InChIInChI=1S/C16H21BrN4/c1-10-8-21(9-15(10)20(2)3)16-12-6-11(17)4-5-14(12)19-7-13(16)18/h4-7,10,15H,8-9,18H2,1-3H3
InChIKeySBWKPJPZTNTHNW-UHFFFAOYSA-N
MW349.28 g/mol
LogP2.97
Rot. Bonds2

About 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine

6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine (PubChem CID 81450399) has the molecular formula C16H21BrN4 and a molecular weight of 349.28 g/mol. Its IUPAC name is 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine.

Molecular Properties

Compound Name6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
PubChem CID81450399
Molecular FormulaC16H21BrN4
Molecular Weight349.28 g/mol
Exact Mass348.09
IUPAC Name6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine
SMILESCC1CN(c2c(N)cnc3ccc(Br)cc23)CC1N(C)C
InChIInChI=1S/C16H21BrN4/c1-10-8-21(9-15(10)20(2)3)16-12-6-11(17)4-5-14(12)19-7-13(16)18/h4-7,10,15H,8-9,18H2,1-3H3
InChIKeySBWKPJPZTNTHNW-UHFFFAOYSA-N
XLogP2.97
TPSA45.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine?
The IUPAC name of 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine (CID 81450399) is 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine.
What is the SMILES notation for 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine?
The canonical SMILES for 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine is CC1CN(c2c(N)cnc3ccc(Br)cc23)CC1N(C)C.
What is the InChIKey of 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine?
The InChIKey is SBWKPJPZTNTHNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21BrN4/c1-10-8-21(9-15(10)20(2)3)16-12-6-11(17)4-5-14(12)19-7-13(16)18/h4-7,10,15H,8-9,18H2,1-3H3.
What are the key properties of 6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine?
6-bromo-4-[3-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine has a molecular weight of 349.28 g/mol, XLogP of 2.97, 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-(dimethylamino)-4-methylpyrrolidin-1-yl]quinolin-3-amine is sourced from PubChem (CID 81450399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).