N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide

C27H23Cl4N3O2 — CID 70947730

IUPACN-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCCC(C)Cn1c(=O)c(Cl)c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc21
InChIInChI=1S/C27H23Cl4N3O2/c1-4-14(2)13-34-26-21(25(32-15(3)35)23(31)27(34)36)12-20(16-5-7-17(28)8-6-16)24(33-26)19-10-9-18(29)11-22(19)30/h5-12,14H,4,13H2,1-3H3,(H,32,35)
InChIKeyBPIUEROYKRQVOW-UHFFFAOYSA-N
MW563.31 g/mol
LogP8.35
Rot. Bonds6

About N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide

N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (PubChem CID 70947730) has the molecular formula C27H23Cl4N3O2 and a molecular weight of 563.31 g/mol. Its IUPAC name is N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide.

Molecular Properties

Compound NameN-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
PubChem CID70947730
Molecular FormulaC27H23Cl4N3O2
Molecular Weight563.31 g/mol
Exact Mass561.05
IUPAC NameN-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide
SMILESCCC(C)Cn1c(=O)c(Cl)c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc21
InChIInChI=1S/C27H23Cl4N3O2/c1-4-14(2)13-34-26-21(25(32-15(3)35)23(31)27(34)36)12-20(16-5-7-17(28)8-6-16)24(33-26)19-10-9-18(29)11-22(19)30/h5-12,14H,4,13H2,1-3H3,(H,32,35)
InChIKeyBPIUEROYKRQVOW-UHFFFAOYSA-N
XLogP8.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500563.31
LogP ≤ 58.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-7-(4-chloro-2-methylphenyl)-6-(4-chlorophenyl)-1-(2-methylpropyl)-2-oxo-1,8-naphthyridin-4-yl]-2-hydroxyacetamide
CID 143048715
4-acetamido-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N,N,1-trimethyl-2-oxo-1,8-naphthyridine-3-carboxamide
CID 11432721
N-[3-acetyl-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-2-oxo-1-(pyridin-3-ylmethyl)-1,8-naphthyridin-4-yl]acetamide;2,2,2-trifluoroacetic acid
CID 11468179
N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(pyrrolidine-1-carbonyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 10482067
1-[3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridin-2-yl]propan-1-one
CID 10433670
1-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-3-(ethylamino)furo[2,3-b]pyridin-2-yl]-2,2-dimethylpropan-1-one
CID 10391329
N-[6-(4-bromo-2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-hydroxy-2-methylpropanoyl)furo[2,3-b]pyridin-3-yl]acetamide
CID 59830454
methyl 5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)pyridine-2-carboxylate
CID 10126602
9-(4-chlorophenyl)-8-(2,4-dichlorophenyl)-2,4,6-trimethyl-4H-[1,3]oxazino[5,4-c][1,8]naphthyridin-5-one
CID 11191223
ethyl 3-amino-5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)furo[2,3-b]pyridine-2-carboxylate
CID 10479445
6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-N-(1-hydroxyethyl)-1,2,2-trimethyl-3,4-dihydro-1,8-naphthyridine-4-carboxamide
CID 75228516
4-chloro-N-[5-(4-chlorophenyl)-6-(2,4-dichlorophenyl)-2-(2,2-dimethylpropanoyl)furo[2,3-b]pyridin-3-yl]butanamide
CID 10099693

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The IUPAC name of N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide (CID 70947730) is N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide.
What is the SMILES notation for N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The canonical SMILES for N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is CCC(C)Cn1c(=O)c(Cl)c(NC(C)=O)c2cc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3Cl)nc21.
What is the InChIKey of N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
The InChIKey is BPIUEROYKRQVOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23Cl4N3O2/c1-4-14(2)13-34-26-21(25(32-15(3)35)23(31)27(34)36)12-20(16-5-7-17(28)8-6-16)24(33-26)19-10-9-18(29)11-22(19)30/h5-12,14H,4,13H2,1-3H3,(H,32,35).
What are the key properties of N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide?
N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide has a molecular weight of 563.31 g/mol, XLogP of 8.35, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-6-(4-chlorophenyl)-7-(2,4-dichlorophenyl)-1-(2-methylbutyl)-2-oxo-1,8-naphthyridin-4-yl]acetamide is sourced from PubChem (CID 70947730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).