3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one

C20H23N3O — CID 120871607

IUPAC3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
SMILESNCCN(CCc1ccccc1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H23N3O/c21-11-13-23(12-10-16-6-2-1-3-7-16)15-18-14-17-8-4-5-9-19(17)22-20(18)24/h1-9,14H,10-13,15,21H2,(H,22,24)
InChIKeyLKPXSXGFHXGJSN-UHFFFAOYSA-N
MW321.42 g/mol
LogP2.53
Rot. Bonds7

About 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one

3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one (PubChem CID 120871607) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one.

Molecular Properties

Compound Name3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
PubChem CID120871607
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one
SMILESNCCN(CCc1ccccc1)Cc1cc2ccccc2[nH]c1=O
InChIInChI=1S/C20H23N3O/c21-11-13-23(12-10-16-6-2-1-3-7-16)15-18-14-17-8-4-5-9-19(17)22-20(18)24/h1-9,14H,10-13,15,21H2,(H,22,24)
InChIKeyLKPXSXGFHXGJSN-UHFFFAOYSA-N
XLogP2.53
TPSA62.12 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The IUPAC name of 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one (CID 120871607) is 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one.
What is the SMILES notation for 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The canonical SMILES for 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one is NCCN(CCc1ccccc1)Cc1cc2ccccc2[nH]c1=O.
What is the InChIKey of 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
The InChIKey is LKPXSXGFHXGJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c21-11-13-23(12-10-16-6-2-1-3-7-16)15-18-14-17-8-4-5-9-19(17)22-20(18)24/h1-9,14H,10-13,15,21H2,(H,22,24).
What are the key properties of 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one?
3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one has a molecular weight of 321.42 g/mol, XLogP of 2.53, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-aminoethyl(2-phenylethyl)amino]methyl]-1H-quinolin-2-one is sourced from PubChem (CID 120871607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).