1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one

C17H21N3O — CID 20701260

IUPAC1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1cc(NCCCN2CCCC2=O)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-13-12-16(19-15-7-3-2-6-14(13)15)18-9-5-11-20-10-4-8-17(20)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyRHCPPISKOIPYCP-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.97
Rot. Bonds5

About 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one

1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one (PubChem CID 20701260) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one
PubChem CID20701260
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one
SMILESCc1cc(NCCCN2CCCC2=O)nc2ccccc12
InChIInChI=1S/C17H21N3O/c1-13-12-16(19-15-7-3-2-6-14(13)15)18-9-5-11-20-10-4-8-17(20)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,19)
InChIKeyRHCPPISKOIPYCP-UHFFFAOYSA-N
XLogP2.97
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

CID 598754
CID 598754
CID 146018719
CID 146018719
CID 2824465
CID 2824465
CID 53236890
CID 53236890
CID 53236891
CID 53236891
CID 22018957
CID 22018957
CID 22018964
CID 22018964
CID 2812969
CID 2812969
CID 685004
CID 685004
CID 777799
CID 777799
CID 12548157
CID 12548157
CID 15987804
CID 15987804

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one?
The IUPAC name of 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one (CID 20701260) is 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one?
The canonical SMILES for 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one is Cc1cc(NCCCN2CCCC2=O)nc2ccccc12.
What is the InChIKey of 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one?
The InChIKey is RHCPPISKOIPYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-13-12-16(19-15-7-3-2-6-14(13)15)18-9-5-11-20-10-4-8-17(20)21/h2-3,6-7,12H,4-5,8-11H2,1H3,(H,18,19).
What are the key properties of 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one?
1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one has a molecular weight of 283.38 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylquinolin-2-yl)amino]propyl]pyrrolidin-2-one is sourced from PubChem (CID 20701260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).