3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide

C22H24ClN3O2 — CID 12988026

IUPAC3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide
SMILESCCn1c(=O)c(CCC(=O)N(C)C)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C22H24ClN3O2/c1-5-26-21-17(10-9-14(2)24-21)20(15-7-6-8-16(23)13-15)18(22(26)28)11-12-19(27)25(3)4/h6-10,13H,5,11-12H2,1-4H3
InChIKeyBUZAPQKSLVVOBF-UHFFFAOYSA-N
MW397.91 g/mol
LogP4.07
Rot. Bonds5

About 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide

3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide (PubChem CID 12988026) has the molecular formula C22H24ClN3O2 and a molecular weight of 397.91 g/mol. Its IUPAC name is 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide
PubChem CID12988026
Molecular FormulaC22H24ClN3O2
Molecular Weight397.91 g/mol
Exact Mass397.16
IUPAC Name3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide
SMILESCCn1c(=O)c(CCC(=O)N(C)C)c(-c2cccc(Cl)c2)c2ccc(C)nc21
InChIInChI=1S/C22H24ClN3O2/c1-5-26-21-17(10-9-14(2)24-21)20(15-7-6-8-16(23)13-15)18(22(26)28)11-12-19(27)25(3)4/h6-10,13H,5,11-12H2,1-4H3
InChIKeyBUZAPQKSLVVOBF-UHFFFAOYSA-N
XLogP4.07
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.91
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-aminoethyl)-4-(3-chlorophenyl)-1-ethyl-7-methyl-1,8-naphthyridin-2-one
CID 12991183
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
N-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl]-N-[2-(dimethylamino)ethyl]-3-phenylpropanamide
CID 42714594
4-(3-chlorophenyl)-1-ethyl-7-(1-hydroxyethyl)pyrido[2,3-d]pyrimidin-2-one
CID 23284493
ethyl 4-[1-(7-chloro-3-ethyl-4-oxoquinazolin-2-yl)ethyl-methylamino]-4-oxobutanoate
CID 42712369
4-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N,N-dimethylbutanamide
CID 99824894
N-benzyl-2-[2-(3-chlorophenyl)-5-(2-hydroxyethyl)-4-methyl-6-oxopyrimidin-1-yl]acetamide
CID 51368921
2-[2-(4-chlorophenyl)-5-methylimidazo[4,5-b]pyridin-1-yl]-N,N-dimethylacetamide
CID 23037334

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide?
The IUPAC name of 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide (CID 12988026) is 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide.
What is the SMILES notation for 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide?
The canonical SMILES for 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide is CCn1c(=O)c(CCC(=O)N(C)C)c(-c2cccc(Cl)c2)c2ccc(C)nc21.
What is the InChIKey of 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide?
The InChIKey is BUZAPQKSLVVOBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O2/c1-5-26-21-17(10-9-14(2)24-21)20(15-7-6-8-16(23)13-15)18(22(26)28)11-12-19(27)25(3)4/h6-10,13H,5,11-12H2,1-4H3.
What are the key properties of 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide?
3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide has a molecular weight of 397.91 g/mol, XLogP of 4.07, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-chlorophenyl)-1-ethyl-7-methyl-2-oxo-1,8-naphthyridin-3-yl]-N,N-dimethylpropanamide is sourced from PubChem (CID 12988026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).