[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

C19H24BrN3O — CID 133378664

IUPAC[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1c1ccnc2ccc(Br)cc12
InChIInChI=1S/C19H24BrN3O/c20-14-5-6-18-17(11-14)19(7-8-21-18)23-10-2-3-15(23)12-22-9-1-4-16(22)13-24/h5-8,11,15-16,24H,1-4,9-10,12-13H2
InChIKeyQPSSEWYJLCJEMM-UHFFFAOYSA-N
MW390.33 g/mol
LogP3.42
Rot. Bonds4

About [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol

[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (PubChem CID 133378664) has the molecular formula C19H24BrN3O and a molecular weight of 390.33 g/mol. Its IUPAC name is [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.

Molecular Properties

Compound Name[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
PubChem CID133378664
Molecular FormulaC19H24BrN3O
Molecular Weight390.33 g/mol
Exact Mass389.11
IUPAC Name[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol
SMILESOCC1CCCN1CC1CCCN1c1ccnc2ccc(Br)cc12
InChIInChI=1S/C19H24BrN3O/c20-14-5-6-18-17(11-14)19(7-8-21-18)23-10-2-3-15(23)12-22-9-1-4-16(22)13-24/h5-8,11,15-16,24H,1-4,9-10,12-13H2
InChIKeyQPSSEWYJLCJEMM-UHFFFAOYSA-N
XLogP3.42
TPSA39.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.33
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The IUPAC name of [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol (CID 133378664) is [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol.
What is the SMILES notation for [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The canonical SMILES for [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is OCC1CCCN1CC1CCCN1c1ccnc2ccc(Br)cc12.
What is the InChIKey of [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
The InChIKey is QPSSEWYJLCJEMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24BrN3O/c20-14-5-6-18-17(11-14)19(7-8-21-18)23-10-2-3-15(23)12-22-9-1-4-16(22)13-24/h5-8,11,15-16,24H,1-4,9-10,12-13H2.
What are the key properties of [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol?
[1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol has a molecular weight of 390.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[1-(6-bromoquinolin-4-yl)pyrrolidin-2-yl]methyl]pyrrolidin-2-yl]methanol is sourced from PubChem (CID 133378664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).