4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide

C26H21Cl3N4O3 — CID 11432721

IUPAC4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(=O)Nc1c(C(=O)N(C)C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H21Cl3N4O3/c1-13(34)30-23-19-12-18(14-5-7-15(27)8-6-14)22(17-10-9-16(28)11-20(17)29)31-24(19)33(4)26(36)21(23)25(35)32(2)3/h5-12H,1-4H3,(H,30,34)
InChIKeyKJRSJPXXXSZADC-UHFFFAOYSA-N
MW543.84 g/mol
LogP5.89
Rot. Bonds4

About 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide

4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide (PubChem CID 11432721) has the molecular formula C26H21Cl3N4O3 and a molecular weight of 543.84 g/mol. Its IUPAC name is 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide.

Molecular Properties

Compound Name4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide
PubChem CID11432721
Molecular FormulaC26H21Cl3N4O3
Molecular Weight543.84 g/mol
Exact Mass542.07
IUPAC Name4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide
SMILESCC(=O)Nc1c(C(=O)N(C)C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12
InChIInChI=1S/C26H21Cl3N4O3/c1-13(34)30-23-19-12-18(14-5-7-15(27)8-6-14)22(17-10-9-16(28)11-20(17)29)31-24(19)33(4)26(36)21(23)25(35)32(2)3/h5-12H,1-4H3,(H,30,34)
InChIKeyKJRSJPXXXSZADC-UHFFFAOYSA-N
XLogP5.89
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.84
LogP ≤ 55.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The IUPAC name of 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide (CID 11432721) is 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide.
What is the SMILES notation for 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The canonical SMILES for 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide is CC(=O)Nc1c(C(=O)N(C)C)c(=O)n(C)c2nc(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)cc12.
What is the InChIKey of 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide?
The InChIKey is KJRSJPXXXSZADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21Cl3N4O3/c1-13(34)30-23-19-12-18(14-5-7-15(27)8-6-14)22(17-10-9-16(28)11-20(17)29)31-24(19)33(4)26(36)21(23)25(35)32(2)3/h5-12H,1-4H3,(H,30,34).
What are the key properties of 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide?
4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide has a molecular weight of 543.84 g/mol, XLogP of 5.89, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide is sourced from PubChem (CID 11432721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).