3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one

C17H17N3O — CID 143688010

IUPAC3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one
SMILESCCn1c(=O)c(CN)cc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C17H17N3O/c1-2-20-16-9-12(14-4-3-7-19-11-14)5-6-13(16)8-15(10-18)17(20)21/h3-9,11H,2,10,18H2,1H3
InChIKeyPBMNGXUAKVOAGN-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.54
Rot. Bonds3

About 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one

3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one (PubChem CID 143688010) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one.

Molecular Properties

Compound Name3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one
PubChem CID143688010
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC Name3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one
SMILESCCn1c(=O)c(CN)cc2ccc(-c3cccnc3)cc21
InChIInChI=1S/C17H17N3O/c1-2-20-16-9-12(14-4-3-7-19-11-14)5-6-13(16)8-15(10-18)17(20)21/h3-9,11H,2,10,18H2,1H3
InChIKeyPBMNGXUAKVOAGN-UHFFFAOYSA-N
XLogP2.54
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one?
The IUPAC name of 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one (CID 143688010) is 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one.
What is the SMILES notation for 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one?
The canonical SMILES for 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one is CCn1c(=O)c(CN)cc2ccc(-c3cccnc3)cc21.
What is the InChIKey of 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one?
The InChIKey is PBMNGXUAKVOAGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O/c1-2-20-16-9-12(14-4-3-7-19-11-14)5-6-13(16)8-15(10-18)17(20)21/h3-9,11H,2,10,18H2,1H3.
What are the key properties of 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one?
3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one has a molecular weight of 279.34 g/mol, XLogP of 2.54, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-1-ethyl-7-pyridin-3-ylquinolin-2-one is sourced from PubChem (CID 143688010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).