3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one

C19H20ClN3O — CID 12991183

IUPAC3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(CCN)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C19H20ClN3O/c1-3-23-18-15(8-7-12(2)22-18)17(16(9-10-21)19(23)24)13-5-4-6-14(20)11-13/h4-8,11H,3,9-10,21H2,1-2H3
InChIKeySCEMJXTWSQMOBG-UHFFFAOYSA-N
MW341.84 g/mol
LogP3.55
Rot. Bonds4

About 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one

3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one (PubChem CID 12991183) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
PubChem CID12991183
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
SMILESCCn1c(=O)c(CCN)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C19H20ClN3O/c1-3-23-18-15(8-7-12(2)22-18)17(16(9-10-21)19(23)24)13-5-4-6-14(20)11-13/h4-8,11H,3,9-10,21H2,1-2H3
InChIKeySCEMJXTWSQMOBG-UHFFFAOYSA-N
XLogP3.55
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide
CID 12988026
4-(3-chlorophenyl)-1-ethyl-3-(3-imidazol-1-ylpropyl)-7-methyl-1,8-naphthyridin-2-one;hydrochloride
CID 22716684
4-(3-chlorophenyl)-1-ethyl-7-methyl-3-pyridin-3-yl-1,8-naphthyridin-2-one
CID 139890342
3-(1-acetylpiperidin-4-yl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
CID 12991192
N-[4-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-1,3-thiazol-2-yl]acetamide
CID 22716699
7-acetyl-4-(3-chlorophenyl)-1-ethylpyrido[2,3-d]pyrimidin-2-one
CID 23284488
4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one
CID 23284493
2,6-dichloro-3-ethylquinazolin-4-one
CID 114692904
1-ethyl-7-methylpyrido[2,3-d][1,3]oxazine-2,4-dione
CID 23349956
2-[4-(3-chlorophenyl)-5-methyl-1H-pyrazol-3-yl]ethanamine
CID 82476314
4,6-dichloro-5-(3-chlorophenyl)-2-propylpyrimidine
CID 79441111
3-[[3-(aminomethyl)phenyl]methyl]-7-chloro-2-phenylquinazolin-4-one
CID 22484847

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one?
The IUPAC name of 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one (CID 12991183) is 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one?
The canonical SMILES for 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one is CCn1c(=O)c(CCN)c(-c2cccc(Cl)c2)c2ccc(C)nc21.
What is the InChIKey of 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one?
The InChIKey is SCEMJXTWSQMOBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-3-23-18-15(8-7-12(2)22-18)17(16(9-10-21)19(23)24)13-5-4-6-14(20)11-13/h4-8,11H,3,9-10,21H2,1-2H3.
What are the key properties of 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one?
3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one has a molecular weight of 341.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one is sourced from PubChem (CID 12991183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).