5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one

C15H16ClN3O — CID 115697510

IUPAC5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2ccc(Cl)c3cccnc23)N1
InChIInChI=1S/C15H16ClN3O/c16-13-5-3-10(15-12(13)2-1-7-18-15)8-17-9-11-4-6-14(20)19-11/h1-3,5,7,11,17H,4,6,8-9H2,(H,19,20)
InChIKeyCEXQOWYSWRGMGP-UHFFFAOYSA-N
MW289.77 g/mol
LogP2.26
Rot. Bonds4

About 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one

5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one (PubChem CID 115697510) has the molecular formula C15H16ClN3O and a molecular weight of 289.77 g/mol. Its IUPAC name is 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one
PubChem CID115697510
Molecular FormulaC15H16ClN3O
Molecular Weight289.77 g/mol
Exact Mass289.10
IUPAC Name5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one
SMILESO=C1CCC(CNCc2ccc(Cl)c3cccnc23)N1
InChIInChI=1S/C15H16ClN3O/c16-13-5-3-10(15-12(13)2-1-7-18-15)8-17-9-11-4-6-14(20)19-11/h1-3,5,7,11,17H,4,6,8-9H2,(H,19,20)
InChIKeyCEXQOWYSWRGMGP-UHFFFAOYSA-N
XLogP2.26
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.77
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-3-ol
CID 120962551
4-[[(5-chloroquinolin-8-yl)methylamino]methyl]-3H-1,3-thiazol-2-one
CID 106380091
1-(5-chloroquinolin-8-yl)-N-(pyridin-2-ylmethyl)methanamine
CID 115697268
5-[[(2-pyrazol-1-ylphenyl)methylamino]methyl]pyrrolidin-2-one
CID 103743104
N-[(5-chloroquinolin-8-yl)methyl]-2-methylcyclohexan-1-amine
CID 115958999
N-[(5-chloroquinolin-8-yl)methyl]-2-ethylcyclopropan-1-amine
CID 103765936
5-[(1-benzofuran-3-ylmethylamino)methyl]pyrrolidin-2-one
CID 80702882
1-[(5-chloroquinolin-8-yl)methyl]-5-oxopyrrolidine-2-carboxylic acid
CID 103354702
4-(5-chloroquinolin-8-yl)azetidin-2-one
CID 112618582
1-(5-chloroquinolin-8-yl)-N-[(3-methyl-2-pyridinyl)methyl]methanamine
CID 115697462
1-(5-chloroquinolin-8-yl)-N-(1H-pyrazol-4-ylmethyl)methanamine
CID 112617720
N-[(5-chloroquinolin-8-yl)methyl]-2-pyridin-4-ylethanamine
CID 115702813

Frequently Asked Questions

What is the IUPAC name of 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one?
The IUPAC name of 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one (CID 115697510) is 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one is O=C1CCC(CNCc2ccc(Cl)c3cccnc23)N1.
What is the InChIKey of 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one?
The InChIKey is CEXQOWYSWRGMGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O/c16-13-5-3-10(15-12(13)2-1-7-18-15)8-17-9-11-4-6-14(20)19-11/h1-3,5,7,11,17H,4,6,8-9H2,(H,19,20).
What are the key properties of 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one?
5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one has a molecular weight of 289.77 g/mol, XLogP of 2.26, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(5-chloroquinolin-8-yl)methylamino]methyl]pyrrolidin-2-one is sourced from PubChem (CID 115697510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).