4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one

C15H17N3O — CID 168659792

IUPAC4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CN)CC2=O)c2cccnc12
InChIInChI=1S/C15H17N3O/c1-10-4-5-13(12-3-2-6-17-15(10)12)18-9-11(8-16)7-14(18)19/h2-6,11H,7-9,16H2,1H3
InChIKeyWHKIVDHJZCBSBI-UHFFFAOYSA-N
MW255.32 g/mol
LogP1.85
Rot. Bonds2

About 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one

4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one (PubChem CID 168659792) has the molecular formula C15H17N3O and a molecular weight of 255.32 g/mol. Its IUPAC name is 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
PubChem CID168659792
Molecular FormulaC15H17N3O
Molecular Weight255.32 g/mol
Exact Mass255.14
IUPAC Name4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
SMILESCc1ccc(N2CC(CN)CC2=O)c2cccnc12
InChIInChI=1S/C15H17N3O/c1-10-4-5-13(12-3-2-6-17-15(10)12)18-9-11(8-16)7-14(18)19/h2-6,11H,7-9,16H2,1H3
InChIKeyWHKIVDHJZCBSBI-UHFFFAOYSA-N
XLogP1.85
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.32
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(hydroxymethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168662622
[1-(8-methylquinolin-5-yl)-5-oxopyrrolidin-3-yl]methanesulfonamide
CID 168681419
4-ethynyl-1-(8-methylquinolin-5-yl)pyrrolidin-2-one
CID 168501102
4-(aminomethyl)-1-(1,10-phenanthrolin-5-yl)pyrrolidin-2-one
CID 168661050
1-(2-amino-3,4-dimethylphenyl)-4-(aminomethyl)pyrrolidin-2-one
CID 168659787
4-amino-1-(8-methoxyquinolin-5-yl)pyrrolidin-2-one
CID 168699530
4-(aminomethyl)-1-(5-amino-2-methylphenyl)pyrrolidin-2-one
CID 168659847
4-(aminomethyl)-1-(2-methylnaphthalen-1-yl)pyrrolidin-2-one
CID 168659858
4-(aminomethyl)-1-(2-chloro-3-hydroxy-4-methylphenyl)pyrrolidin-2-one
CID 168659748
4-(aminomethyl)-1-(5-hydroxynaphthalen-1-yl)pyrrolidin-2-one
CID 168661049
4-(aminomethyl)-1-(6-chloro-2-methyl-3-pyridinyl)pyrrolidin-2-one
CID 168659881
(3R,5S)-5-methyl-1-(8-methylquinolin-5-yl)piperidin-3-amine;hydrochloride
CID 129241158

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one?
The IUPAC name of 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one (CID 168659792) is 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one.
What is the SMILES notation for 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one?
The canonical SMILES for 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one is Cc1ccc(N2CC(CN)CC2=O)c2cccnc12.
What is the InChIKey of 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one?
The InChIKey is WHKIVDHJZCBSBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O/c1-10-4-5-13(12-3-2-6-17-15(10)12)18-9-11(8-16)7-14(18)19/h2-6,11H,7-9,16H2,1H3.
What are the key properties of 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one?
4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one has a molecular weight of 255.32 g/mol, XLogP of 1.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-1-(8-methylquinolin-5-yl)pyrrolidin-2-one is sourced from PubChem (CID 168659792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).