5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one

C21H25N3O — CID 138019125

IUPAC5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1cc(CNc2cccc(C3CCC(=O)N3)c2)c2c(n1)CCCC2
InChIInChI=1S/C21H25N3O/c1-14-11-16(18-7-2-3-8-20(18)23-14)13-22-17-6-4-5-15(12-17)19-9-10-21(25)24-19/h4-6,11-12,19,22H,2-3,7-10,13H2,1H3,(H,24,25)
InChIKeySBVRAPZSJMNDTD-UHFFFAOYSA-N
MW335.45 g/mol
LogP3.83
Rot. Bonds4

About 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one

5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one (PubChem CID 138019125) has the molecular formula C21H25N3O and a molecular weight of 335.45 g/mol. Its IUPAC name is 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one
PubChem CID138019125
Molecular FormulaC21H25N3O
Molecular Weight335.45 g/mol
Exact Mass335.20
IUPAC Name5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one
SMILESCc1cc(CNc2cccc(C3CCC(=O)N3)c2)c2c(n1)CCCC2
InChIInChI=1S/C21H25N3O/c1-14-11-16(18-7-2-3-8-20(18)23-14)13-22-17-6-4-5-15(12-17)19-9-10-21(25)24-19/h4-6,11-12,19,22H,2-3,7-10,13H2,1H3,(H,24,25)
InChIKeySBVRAPZSJMNDTD-UHFFFAOYSA-N
XLogP3.83
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.45
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The IUPAC name of 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one (CID 138019125) is 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The canonical SMILES for 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one is Cc1cc(CNc2cccc(C3CCC(=O)N3)c2)c2c(n1)CCCC2.
What is the InChIKey of 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one?
The InChIKey is SBVRAPZSJMNDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O/c1-14-11-16(18-7-2-3-8-20(18)23-14)13-22-17-6-4-5-15(12-17)19-9-10-21(25)24-19/h4-6,11-12,19,22H,2-3,7-10,13H2,1H3,(H,24,25).
What are the key properties of 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one?
5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one has a molecular weight of 335.45 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-[(2-methyl-5,6,7,8-tetrahydroquinolin-4-yl)methylamino]phenyl]pyrrolidin-2-one is sourced from PubChem (CID 138019125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).