1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one

C15H18N2O — CID 65482356

IUPAC1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one
SMILESNCCC1(Cn2c(=O)ccc3ccccc32)CC1
InChIInChI=1S/C15H18N2O/c16-10-9-15(7-8-15)11-17-13-4-2-1-3-12(13)5-6-14(17)18/h1-6H,7-11,16H2
InChIKeyCWGHENAFUSMDNK-UHFFFAOYSA-N
MW242.32 g/mol
LogP2.13
Rot. Bonds4

About 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one

1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one (PubChem CID 65482356) has the molecular formula C15H18N2O and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one.

Molecular Properties

Compound Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one
PubChem CID65482356
Molecular FormulaC15H18N2O
Molecular Weight242.32 g/mol
Exact Mass242.14
IUPAC Name1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one
SMILESNCCC1(Cn2c(=O)ccc3ccccc32)CC1
InChIInChI=1S/C15H18N2O/c16-10-9-15(7-8-15)11-17-13-4-2-1-3-12(13)5-6-14(17)18/h1-6H,7-11,16H2
InChIKeyCWGHENAFUSMDNK-UHFFFAOYSA-N
XLogP2.13
TPSA48.02 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one?
The IUPAC name of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one (CID 65482356) is 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one.
What is the SMILES notation for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one?
The canonical SMILES for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one is NCCC1(Cn2c(=O)ccc3ccccc32)CC1.
What is the InChIKey of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one?
The InChIKey is CWGHENAFUSMDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O/c16-10-9-15(7-8-15)11-17-13-4-2-1-3-12(13)5-6-14(17)18/h1-6H,7-11,16H2.
What are the key properties of 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one?
1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one has a molecular weight of 242.32 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-aminoethyl)cyclopropyl]methyl]quinolin-2-one is sourced from PubChem (CID 65482356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).