4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one

C19H21N3O — CID 134310779

IUPAC4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCCNC(C)c1cccc(-c2cn(C)c(=O)c3cnccc23)c1
InChIInChI=1S/C19H21N3O/c1-4-21-13(2)14-6-5-7-15(10-14)18-12-22(3)19(23)17-11-20-9-8-16(17)18/h5-13,21H,4H2,1-3H3
InChIKeyRWIRFQSJEHLPMM-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.27
Rot. Bonds4

About 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one

4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one (PubChem CID 134310779) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
PubChem CID134310779
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one
SMILESCCNC(C)c1cccc(-c2cn(C)c(=O)c3cnccc23)c1
InChIInChI=1S/C19H21N3O/c1-4-21-13(2)14-6-5-7-15(10-14)18-12-22(3)19(23)17-11-20-9-8-16(17)18/h5-13,21H,4H2,1-3H3
InChIKeyRWIRFQSJEHLPMM-UHFFFAOYSA-N
XLogP3.27
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?
The IUPAC name of 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one (CID 134310779) is 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one.
What is the SMILES notation for 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?
The canonical SMILES for 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one is CCNC(C)c1cccc(-c2cn(C)c(=O)c3cnccc23)c1.
What is the InChIKey of 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?
The InChIKey is RWIRFQSJEHLPMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O/c1-4-21-13(2)14-6-5-7-15(10-14)18-12-22(3)19(23)17-11-20-9-8-16(17)18/h5-13,21H,4H2,1-3H3.
What are the key properties of 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one?
4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one has a molecular weight of 307.40 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[1-(ethylamino)ethyl]phenyl]-2-methyl-2,7-naphthyridin-1-one is sourced from PubChem (CID 134310779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).