5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol

C15H19N3O — CID 117396923

IUPAC5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol
SMILESCN1CC(CN)CC1c1ccc(O)c2ncccc12
InChIInChI=1S/C15H19N3O/c1-18-9-10(8-16)7-13(18)11-4-5-14(19)15-12(11)3-2-6-17-15/h2-6,10,13,19H,7-9,16H2,1H3
InChIKeySWBSXKDDCVHCGU-UHFFFAOYSA-N
MW257.34 g/mol
LogP1.89
Rot. Bonds2

About 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol

5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol (PubChem CID 117396923) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol.

Molecular Properties

Compound Name5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol
PubChem CID117396923
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol
SMILESCN1CC(CN)CC1c1ccc(O)c2ncccc12
InChIInChI=1S/C15H19N3O/c1-18-9-10(8-16)7-13(18)11-4-5-14(19)15-12(11)3-2-6-17-15/h2-6,10,13,19H,7-9,16H2,1H3
InChIKeySWBSXKDDCVHCGU-UHFFFAOYSA-N
XLogP1.89
TPSA62.38 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol?
The IUPAC name of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol (CID 117396923) is 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol.
What is the SMILES notation for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol?
The canonical SMILES for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol is CN1CC(CN)CC1c1ccc(O)c2ncccc12.
What is the InChIKey of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol?
The InChIKey is SWBSXKDDCVHCGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-18-9-10(8-16)7-13(18)11-4-5-14(19)15-12(11)3-2-6-17-15/h2-6,10,13,19H,7-9,16H2,1H3.
What are the key properties of 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol?
5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol has a molecular weight of 257.34 g/mol, XLogP of 1.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(aminomethyl)-1-methylpyrrolidin-2-yl]quinolin-8-ol is sourced from PubChem (CID 117396923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).